data_2dnc_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 2dnc _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -112.63 112.58 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -82.87 128.87 34.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -94.92 115.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.02 139.24 45.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 46.4 tpp -47.45 114.36 3.03 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.96 160.53 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.66 56.7 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 54.8 mt -41.97 -52.33 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.32 60.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.07 8.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 p -138.55 58.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.6 ttt -106.16 136.84 45.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.09 -27.99 13.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -160.27 170.08 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -132.54 -169.25 12.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.72 110.6 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.65 107.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.3 -59.89 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -156.08 140.23 16.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -76.77 133.09 39.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' A' ' 40' ' ' ALA . 44.4 mt -91.17 -6.66 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -131.7 160.22 36.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -116.41 164.1 15.05 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -69.8 120.83 16.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.64 -14.78 35.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.66 156.06 27.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.22 164.81 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t -142.03 144.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.52 130.09 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.6 -40.29 2.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.83 153.49 13.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -81.32 132.83 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -98.1 -55.71 2.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 p -151.81 166.8 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.233 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.95 114.89 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 3.4 mm -93.17 126.92 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.77 134.51 33.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.238 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.415 HG21 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -144.27 150.58 38.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -43.2 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -59.67 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.82 -173.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 p -87.28 105.71 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' CG2' HG21 ' A' ' 46' ' ' THR . 2.5 m -110.1 157.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 7.5 m -113.58 148.69 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -91.15 110.88 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -88.91 149.45 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.1 133.9 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -89.82 -22.72 21.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.36 167.37 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.55 125.29 49.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.97 -179.16 41.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mm -96.99 134.22 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.248 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 88.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.91 -65.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' NZ ' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -152.6 176.76 11.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 74.5 mt -126.44 106.64 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG21 ' NZ ' ' A' ' 63' ' ' LYS . 68.0 t -66.62 -52.16 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.065 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.04 111.21 34.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.56 165.72 20.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.04 148.24 50.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -17.57 33.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.49 144.6 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.18 153.24 43.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.01 74.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLY . 3.9 mm -109.25 88.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -50.51 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.36 156.7 26.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.78 40.41 75.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -120.77 128.87 53.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.797 . . . . 0.0 109.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.14 120.44 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.1 pt -110.77 -19.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.52 156.91 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.42 157.47 23.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 28.3 mt -118.75 153.47 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.78 133.78 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 2.4 mt-10 -47.17 125.54 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -38.72 127.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.16 -56.2 0.47 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.92 137.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.61 89.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.006 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 mt -106.44 104.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 118.68 21.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mt -89.84 118.61 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.3 138.27 47.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.433 ' CE ' HG22 ' A' ' 73' ' ' ILE . 46.0 tpp -48.65 111.19 1.74 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.68 38.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 57.27 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.37 -55.67 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.9 159.01 79.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -134.57 54.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.2 ttt -103.59 122.01 44.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -27.99 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 2.4 pt-20 -164.92 175.9 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.06 171.82 24.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.21 20.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -72.78 103.72 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.68 -64.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 5.2 ttpt -151.97 151.84 31.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.8 120.68 29.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.014 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 33.7 mt -76.26 -9.45 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CB ' HD11 ' A' ' 61' ' ' LEU . 4.9 mttm -125.69 157.7 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -111.6 160.1 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.92 117.3 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.54 -28.77 8.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.72 161.77 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 0.816 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.11 168.37 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.88 141.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -129.83 123.39 30.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . . . -39.44 135.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 32.31 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.53 142.62 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 28' ' ' LEU . . . -67.09 121.33 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.1 mt -97.32 -55.95 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.16 170.89 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -100.7 117.87 35.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 53' ' ' LEU . 2.8 mm -96.51 137.3 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.35 131.72 37.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -138.33 158.93 43.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -25.24 65.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -56.77 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -179.71 -169.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.9 p -82.19 108.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.5 166.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 3.9 m -122.08 145.63 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.35 119.38 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.27 151.86 19.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.68 158.85 31.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -24.82 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.75 166.4 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.26 123.93 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.11 -167.55 29.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -108.41 138.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.98 90.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 83' ' ' VAL . . . -51.84 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.92 142.36 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.7 mt -92.29 85.43 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -40.32 -59.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.06 106.37 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -74.67 165.81 24.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.7 pt-20 -57.83 167.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.51 -7.96 73.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.9 p -71.96 165.51 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 160.64 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.89 52.95 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.433 HG22 ' CE ' ' A' ' 12' ' ' MET . 10.9 mm -94.8 84.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.465 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 14.5 ptt180 -53.39 178.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.36 149.98 25.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.36 42.43 49.37 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -123.86 119.96 31.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.74 115.45 4.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 pt -104.49 -34.09 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.22 154.12 24.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -115.73 156.24 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 10.7 mt -122.82 140.88 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 62' ' ' ALA . 21.0 m -122.54 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.2 mt-10 -39.0 123.94 1.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 2.6 mt-10 -38.32 140.56 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.39 -57.9 1.0 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 127.67 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.46 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -96.23 108.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.232 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.87 132.53 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.462 HG23 ' CG1' ' A' ' 79' ' ' ILE . 62.2 mt -92.31 111.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.38 140.37 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.407 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.9 tpp -53.32 110.99 2.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 159.41 41.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -82.31 59.57 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.935 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -44.4 -53.49 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -78.47 170.26 17.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -136.5 61.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 0.5 OUTLIER -90.99 153.23 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -113.37 -15.29 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.35 178.1 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.13 -168.35 11.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -157.0 108.65 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.68 111.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.23 -52.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.4 tttt -160.12 153.81 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 64' ' ' ILE . 49.8 m95 -92.9 127.76 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' LEU . 31.1 mt -83.37 -14.53 52.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -122.38 159.77 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -112.99 171.29 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -74.2 125.68 28.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 99.45 -13.54 61.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.05 157.38 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 0.792 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.81 166.56 20.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 58.5 t -141.84 148.25 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -132.77 138.38 47.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.83 129.79 43.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.17 -28.18 16.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.66 148.8 36.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -76.59 133.44 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.4 mt -96.97 -53.18 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.7 p -149.79 167.74 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -96.36 118.22 32.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 53' ' ' LEU . 2.8 mm -95.77 130.29 44.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -93.91 134.12 36.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -141.98 145.58 34.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -46.91 -40.29 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -69.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.54 -169.14 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.48 100.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.56 155.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 9.1 m -113.4 144.47 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.452 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.18 123.66 34.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.45 144.19 31.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.9 150.9 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -22.39 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -147.17 143.24 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 124.91 28.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.05 -176.58 39.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mm -99.21 135.25 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 0.725 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.2 89.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.92 -67.63 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 142.19 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.572 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 66.0 mt -93.84 84.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' ILE . 46.6 t -40.18 -59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.03 115.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.61 172.38 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.36 138.29 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.72 -2.26 15.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.02 157.07 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 145.57 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 71.78 79.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.6 mm -115.41 96.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.98 176.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -86.11 153.53 22.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.88 31.22 64.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -113.72 124.67 52.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 0.816 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -67.09 118.61 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.462 ' CG1' HG23 ' A' ' 10' ' ' ILE . 24.8 pt -107.58 -26.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.38 153.85 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -118.5 134.73 54.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 54.6 mt -105.81 150.63 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 82' ' ' ILE . 2.0 m -129.35 143.14 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . 3.2 mt-10 -48.18 124.31 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.46 144.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.92 64.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.68 162.51 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -70.07 74.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 43.5 p-90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 108.031 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -103.32 107.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 8.3 ptpt -80.2 126.27 30.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.437 ' CD1' HG13 ' A' ' 82' ' ' ILE . 6.8 mt -87.6 106.88 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.69 143.54 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE3' ' CG2' ' A' ' 73' ' ' ILE . 41.5 tpp -54.47 112.67 4.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.34 42.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 p -79.91 58.98 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 44' ' ' ILE . 7.4 mt -43.63 -45.91 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 157.7 44.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.5 Cg_endo -75.02 -19.89 17.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.422 1.749 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.401 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 80.9 p -152.68 66.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.56 120.8 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -34.68 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -161.61 170.85 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.447 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -135.34 -160.78 9.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 1.4 m-80 -159.6 115.66 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mp -69.81 113.96 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 t -71.41 -58.35 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 14.0 ttpt -155.45 146.13 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -84.13 125.79 32.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 32.4 mt -81.43 -18.18 46.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -119.51 162.48 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -113.12 173.17 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.07 128.37 33.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.42 -9.35 64.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.24 156.37 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.62 166.69 23.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.92 144.1 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -131.27 140.95 49.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.34 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.92 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.39 1.056 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.11 144.16 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -75.1 137.84 41.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 26.2 mt -102.26 -53.8 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -149.36 173.66 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -104.7 121.88 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 HG13 ' CD1' ' A' ' 15' ' ' LEU . 3.2 mm -98.18 145.84 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.52 131.88 46.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 6.4 p -138.38 145.91 41.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -34.67 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -66.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -169.0 -167.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.93 114.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.92 165.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 29.2 m -122.17 141.4 51.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -86.66 115.7 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -94.09 148.1 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.16 141.52 49.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.06 -32.35 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.84 165.02 26.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.99 122.0 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.35 -179.11 40.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.76 136.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.233 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 88.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -50.56 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -154.3 174.87 14.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' VAL . 63.7 mt -121.27 81.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.5 t -38.05 -57.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -111.92 118.79 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.11 -178.73 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.3 pt-20 -70.45 164.07 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.33 -1.91 73.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.8 m -75.06 113.01 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.82 168.62 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 48.76 72.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 ' CG2' ' HE3' ' A' ' 12' ' ' MET . 9.1 mm -108.47 87.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -56.82 167.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.91 157.52 33.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.81 34.93 90.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -112.89 128.94 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.777 . . . . 0.0 109.972 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -71.05 117.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.6 pt -110.97 -23.67 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.24 153.78 24.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -119.12 128.63 54.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 10' ' ' ILE . 7.9 mt -100.61 153.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.445 HG13 ' CB ' ' A' ' 62' ' ' ALA . 3.6 m -139.51 131.46 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -38.67 122.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -42.45 123.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.76 -57.95 0.5 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.0 tt0 -40.51 132.08 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -61.21 83.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.4 p-90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 108.013 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.0 mt -95.4 110.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 9.5 ptmt -84.0 113.81 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 mt -74.57 121.18 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -115.28 139.24 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.1 tpp -49.89 112.36 2.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.38 42.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 56.98 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -40.7 -43.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.6 150.35 37.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.86 21.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -139.2 52.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 ttt -112.94 116.88 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.88 -30.12 40.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 7.7 pt-20 -162.76 173.69 13.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -139.8 -173.98 13.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.591 1.182 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.87 119.47 6.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.03 114.73 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.36 -58.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 16.2 ttpp -152.12 143.85 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -84.31 126.34 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.045 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' LEU . 33.7 mt -84.43 -12.75 53.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -123.78 161.64 24.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.94 165.96 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.3 117.52 15.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.36 -20.62 23.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.92 160.56 32.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.15 166.93 17.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLY . 59.2 t -142.05 148.19 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -133.76 141.19 47.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.98 131.64 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.05 -33.43 5.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.0 149.86 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -79.35 143.24 35.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' LEU . 24.5 mt -107.84 -52.66 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 p -154.72 174.37 15.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.86 123.29 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 53' ' ' LEU . 4.5 mm -98.47 141.09 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 7.7 p -140.84 144.89 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -53.54 -32.35 50.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -63.48 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -171.79 -167.86 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -88.42 112.96 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.42 161.45 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.455 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 15.7 m -115.69 143.95 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -86.78 113.12 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.93 144.67 25.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.46 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.78 -18.72 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -146.37 169.86 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.38 124.43 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.96 178.34 42.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mm -96.06 133.77 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 88.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -49.63 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CE ' HG22 ' A' ' 65' ' ' VAL . 21.4 pttt -149.1 175.18 11.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' CG2' ' OE2' ' A' ' 67' ' ' GLU . 64.8 mt -123.57 84.37 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 HG22 ' CE ' ' A' ' 63' ' ' LYS . 33.4 t -39.89 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -108.8 116.0 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' CG2' ' A' ' 64' ' ' ILE . 13.3 mm-40 -78.97 177.63 8.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.2 pt-20 -68.54 163.9 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.207 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.07 -8.05 68.58 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 169.53 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 161.86 40.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.94 59.28 2.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.633 1.208 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.7 mm -104.41 86.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 12.7 mtp180 -55.25 177.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.26 151.27 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.91 36.9 60.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -113.86 147.38 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 0.794 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 mt -84.15 116.21 22.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.392 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -111.08 -31.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.99 153.74 24.4 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -117.67 134.46 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.455 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 8.8 mt -104.09 154.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.82 134.05 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -44.92 122.52 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.78 124.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.55 -59.08 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -41.65 129.73 3.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.554 0.797 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.5 93.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 mt -103.64 108.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 1.4 pttt -81.66 120.42 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -87.34 116.82 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.391 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.9 mt -110.3 144.5 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.0 tpp -53.06 113.46 4.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 162.22 37.54 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' LEU . 17.3 p -90.29 56.33 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . 86.8 mt -39.51 -55.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.46 151.77 66.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.97 21.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.6 p -146.5 56.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.3 ttt -112.26 122.54 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.39 -26.32 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.56 173.49 9.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -145.22 174.79 25.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.39 124.68 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.31 103.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.89 -63.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 19.7 ttpt -150.05 156.82 42.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -92.33 122.76 35.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 107.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 82.1 mt -83.75 -2.15 55.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -134.43 159.08 42.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -115.25 159.74 20.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.9 124.54 23.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.44 -20.18 32.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.67 159.61 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.29 164.61 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 38.8 t -142.13 147.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.405 ' N ' HG11 ' A' ' 35' ' ' VAL . 4.3 t -131.81 156.85 45.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.07 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.82 43.49 96.08 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.6 142.43 51.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.67 118.11 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.6 mt -98.29 -54.55 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -151.08 170.06 20.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.32 115.67 29.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 53' ' ' LEU . 3.1 mm -92.85 138.47 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.68 130.52 43.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 60.6 p -138.96 143.97 38.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -35.93 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -66.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -166.59 -167.95 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.51 106.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -112.07 165.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.4 m -121.3 146.68 46.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' CD2' ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -85.04 130.63 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -107.45 151.65 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.74 144.15 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.16 -20.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -138.14 160.04 40.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 122.3 41.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.21 176.27 41.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.5 139.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 90.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -54.05 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.75 173.37 12.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 65' ' ' VAL . 64.1 mt -121.41 79.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 28.6 t -38.87 -60.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.1 t -104.03 113.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.88 -177.41 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.3 pt-20 -79.25 168.47 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.64 86.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 170.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 143.15 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.39 75.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' GLY . 6.5 mm -114.09 86.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -51.52 168.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.38 156.57 35.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.35 40.79 69.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 m -123.65 128.57 49.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.53 119.75 14.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.81 -26.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.76 153.68 24.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -120.42 131.87 54.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.5 mt -100.93 158.13 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.404 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 2.6 m -139.82 132.88 35.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.57 123.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 140.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.84 65.48 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.56 159.71 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.86 86.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.059 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -105.48 110.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.26 125.5 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.9 mt -89.8 106.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 mt -101.15 143.5 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 tpp -53.19 112.41 3.58 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' HD11 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.14 152.98 40.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.52 57.37 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.8 mt -42.34 -51.42 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -85.27 161.54 51.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -30.69 6.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.1 p -139.28 61.95 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.416 ' N ' ' HG ' ' A' ' 16' ' ' SER . 2.1 ttt -108.97 108.28 18.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.185 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.72 -29.62 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.04 166.99 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -127.24 -166.94 12.23 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -156.29 108.34 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.36 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 t -69.08 -60.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 24.7 tttp -152.11 153.4 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -92.71 123.49 36.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.5 -22.59 54.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -114.17 166.32 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.6 163.7 16.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.52 115.45 8.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.84 -16.68 20.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.511 1.132 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.76 163.89 26.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 0.776 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.07 165.95 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.46 ' CG1' HD23 ' A' ' 41' ' ' LEU . 58.8 t -142.02 143.97 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -131.14 135.87 47.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.31 30.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.59 -39.55 2.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.37 148.69 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 52' ' ' THR . . . -76.33 137.68 40.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 35' ' ' VAL . 18.2 mt -102.31 -53.47 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -153.33 175.18 13.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 108.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -102.37 116.68 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 53' ' ' LEU . 4.3 mm -92.93 132.35 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -93.25 120.45 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -130.54 148.55 52.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.39 -41.2 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -52.95 -65.3 0.58 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.72 -169.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.19 102.93 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.09 164.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.237 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.456 HG21 ' CB ' ' A' ' 40' ' ' ALA . 3.1 m -119.54 145.97 45.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 110.411 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 44' ' ' ILE . 1.1 tt -85.63 106.83 17.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.98 145.58 29.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 135.65 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -21.26 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.65 164.67 31.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 120.15 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.35 173.15 41.8 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mm -88.69 135.41 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.417 0.716 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' CB ' HG12 ' A' ' 83' ' ' VAL . . . -49.91 -66.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.211 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -148.99 173.2 13.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' VAL . 77.8 mt -120.25 85.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 25.0 t -39.87 -60.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -105.66 113.15 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.34 156.72 31.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.4 pt-20 -54.01 151.36 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.34 -11.46 58.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.44 132.64 35.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ASN . 9.3 mmtm -110.49 -177.39 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.0 m120 39.86 77.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mm -112.77 88.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -53.1 171.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 mt -80.52 153.97 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.66 42.1 72.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -122.97 129.46 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.5 mt -70.09 119.05 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 pt -111.44 -25.99 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.33 153.64 24.35 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -118.71 135.2 54.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 81' ' ' LEU . 25.0 mt -105.49 156.95 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG12 ' CB ' ' A' ' 62' ' ' ALA . 2.8 m -140.43 132.13 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.71 125.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.95 151.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.16 58.58 13.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.35 162.45 35.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -88.41 80.78 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 44.5 p-90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.87 114.65 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.09 125.16 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.5 mt -86.95 115.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.33 135.55 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.451 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.5 tpp -49.28 123.79 13.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 156.21 43.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 p -91.06 57.12 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -42.32 -61.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.98 166.36 16.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -29.72 8.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' MET . 71.2 p -137.11 25.56 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -36.83 141.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -33.53 4.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -173.33 123.41 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 -166.95 41.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -154.48 108.37 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.3 mt -69.73 110.83 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.46 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 17.7 ttpp -154.61 154.45 33.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -89.94 128.31 36.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.076 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 40' ' ' ALA . 26.8 mt -82.95 -17.16 44.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -123.71 171.76 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -123.81 175.84 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.32 126.07 30.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.286 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.5 -10.98 63.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.64 150.19 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.82 163.97 24.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 59' ' ' GLY . 24.8 t -141.87 145.12 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -131.55 133.4 45.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.58 129.39 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.93 -28.2 15.72 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.57 145.35 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -74.31 128.64 36.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 mt -90.79 -53.88 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.46 166.8 28.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.202 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -97.63 116.66 30.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mm -93.95 138.6 20.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.73 132.4 44.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 23.6 p -142.8 145.07 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -49.42 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -61.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.15 -170.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -91.4 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -96.99 168.0 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 3.0 m -127.29 145.19 50.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 52' ' ' THR . 0.4 OUTLIER -87.05 128.19 35.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.8 143.19 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.8 140.2 58.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -31.37 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -138.53 158.6 43.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.36 129.11 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.91 -168.02 33.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -110.67 137.19 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 88.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.38 -68.96 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.4 141.5 20.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.14 85.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.87 -59.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.17 121.91 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.77 -177.86 6.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pt-20 -71.91 170.98 12.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 1.74 72.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 m -86.86 107.0 18.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.431 ' CD ' ' HB3' ' A' ' 23' ' ' ASN . 3.1 mmmt -90.97 174.99 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.5 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.451 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 5.2 mm -113.62 92.51 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -45.96 159.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 19' ' ' MET . 6.8 mt -78.64 157.29 28.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.74 93.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.6 m -114.1 138.08 50.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.68 117.9 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 pt -107.06 -17.93 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.8 154.84 12.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.5 150.9 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 0.825 . . . . 0.0 109.348 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.0 mt -114.91 149.38 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.3 m -133.69 130.78 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -42.19 123.76 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.97 125.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.24 -53.78 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.2 mt-10 -43.8 120.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.21 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' GLU . 34.6 p-90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.056 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 82' ' ' ILE . 6.0 mt -100.34 110.43 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 8.8 ptpt -84.69 126.03 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.43 ' N ' HD22 ' A' ' 78' ' ' LEU . 52.3 mt -91.06 109.77 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.38 140.93 36.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.427 ' CE ' HG23 ' A' ' 73' ' ' ILE . 44.2 tpp -53.32 112.98 4.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.43 29.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 p -91.32 57.23 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -44.2 -47.99 9.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -85.02 157.11 60.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -129.91 53.64 1.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.411 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.7 ttt -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -26.19 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -163.15 170.67 17.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.82 177.59 19.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 121.9 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.75 115.53 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.96 -59.3 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -151.19 137.8 18.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' HG21 ' A' ' 64' ' ' ILE . 30.0 m95 -78.31 121.4 24.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.8 mt -80.0 -5.33 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -129.29 157.45 41.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -114.06 169.04 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.3 126.34 29.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.3 -22.06 40.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.52 168.48 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.43 164.09 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.03 137.66 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -131.75 127.0 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.92 133.51 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.09 23.27 45.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.95 139.27 52.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -66.37 117.75 9.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' LEU . 15.5 mt -91.68 -53.72 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -152.79 175.95 12.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -104.34 117.1 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.356 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 53' ' ' LEU . 3.0 mm -93.77 131.63 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.93 130.83 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.6 p -141.01 144.78 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -38.47 54.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -63.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.9 -163.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -94.08 104.1 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -106.22 165.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.6 m -118.19 145.75 44.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -89.76 117.9 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 152.28 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.92 141.96 37.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -103.03 -7.58 21.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -151.61 163.45 39.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.7 132.41 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -175.2 -167.95 35.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -110.74 134.21 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 88.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.49 ' O ' ' CE3' ' A' ' 89' ' ' TRP . . . -56.83 -69.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 143.64 32.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.569 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 65.7 mt -95.73 87.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -42.54 -59.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -107.98 118.44 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.87 -175.03 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.56 163.8 23.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.49 -19.15 41.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.15 176.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.78 160.38 33.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.147 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.5 67.8 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.427 HG23 ' CE ' ' A' ' 12' ' ' MET . 7.9 mm -111.15 84.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.445 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -53.04 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.98 153.21 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.43 32.12 58.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.5 m -115.5 134.18 55.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.7 mt -73.27 118.85 16.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.2 pt -106.84 -29.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.78 24.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.68 129.66 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 8' ' ' ILE . 5.9 mt -103.45 142.74 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -123.62 141.02 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mm-40 -48.02 121.14 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' GLU . 5.1 mt-10 -38.66 129.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.64 -56.7 0.51 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.56 118.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.99 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.49 ' CE3' ' O ' ' A' ' 62' ' ' ALA . 15.3 p-90 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.528 0.897 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 mt -107.12 103.75 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 11' ' ' LEU . 11.3 pttt -77.0 114.25 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -86.0 105.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 9' ' ' LYS . 32.6 mt -95.7 139.27 32.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.455 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.7 tpp -48.01 116.83 5.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 158.87 42.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -89.14 56.53 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -41.02 -45.05 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -94.27 154.46 40.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.42 14.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.4 p -136.15 56.58 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 4.2 ttt -111.03 139.74 46.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -112.38 -20.49 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -179.56 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.03 -177.45 27.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -138.75 108.31 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.48 99.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -59.4 -64.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.3 ttpp -150.29 151.76 33.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.522 ' CD2' HD13 ' A' ' 64' ' ' ILE . 29.7 m95 -89.62 121.65 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 28.1 mt -80.22 -3.15 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -130.21 161.09 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -114.81 166.41 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.71 126.05 30.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.22 24.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.07 173.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.17 163.97 13.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLY . 18.6 t -142.21 141.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -130.05 137.0 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 130.39 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.93 32.79 9.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.65 141.04 48.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -67.06 117.77 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mt -91.08 -53.45 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -149.89 163.83 37.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -94.21 114.86 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.96 142.55 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -101.92 134.76 44.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 3.1 p -142.13 145.27 34.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -36.7 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -68.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -166.61 -169.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.14 112.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.16 165.5 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 4.8 m -120.59 146.41 46.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.414 ' N ' HG21 ' A' ' 52' ' ' THR . 1.3 tt -94.02 110.06 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.6 150.79 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.69 39.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.5 -12.61 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -153.86 159.97 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.53 130.94 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.411 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -172.05 -167.95 32.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mm -108.26 138.1 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.37 88.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 83' ' ' VAL . . . -51.93 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -152.95 142.94 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.522 HD13 ' CD2' ' A' ' 27' ' ' TRP . 64.1 mt -92.6 82.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 58.5 t -39.95 -59.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.8 t -101.24 109.69 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 166.44 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -60.13 173.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.349 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.71 61.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.4 p -79.55 171.63 14.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -163.91 145.57 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 2.4 t-20 80.28 49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.455 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 11.3 mm -89.46 89.8 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.95 163.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 19' ' ' MET . 4.4 mt -68.79 153.76 43.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.89 56.73 6.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.61 147.18 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.041 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' A' ' 11' ' ' LEU . 4.0 mt -80.77 112.53 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 pt -105.67 -32.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.47 154.3 25.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -119.25 150.03 40.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.477 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 12.5 mt -116.21 150.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 62' ' ' ALA . 16.6 m -127.33 130.31 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.99 127.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 133.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.02 -57.59 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.51 108.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.329 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -40.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.7 p-90 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -105.78 107.6 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 1.3 ptpp? -82.89 125.61 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 ' N ' HD22 ' A' ' 78' ' ' LEU . 8.9 mt -89.61 106.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.17 141.06 33.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.435 ' HE1' ' CG2' ' A' ' 73' ' ' ILE . 48.9 tpp -51.09 106.53 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 155.27 43.07 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.59 57.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 44' ' ' ILE . 13.4 mt -40.81 -34.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -127.05 152.76 76.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.511 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.4 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.542 1.812 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.511 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 66.07 24.93 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.443 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ttt -77.41 113.97 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.96 -32.37 57.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.54 -177.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -148.83 -166.56 13.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -148.2 109.4 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 104.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.6 -63.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 9.6 tttt -154.59 154.5 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -90.05 121.54 32.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 107.939 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -82.06 -10.65 59.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.62 157.05 36.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -112.79 166.98 10.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.1 124.89 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.35 -1.86 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 166.3 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.84 163.24 15.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 46.4 t -142.15 143.11 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -130.17 129.47 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.2 133.33 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.39 33.21 35.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.82 140.9 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -67.74 114.9 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.1 -50.41 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.2 p -157.11 171.17 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -105.18 116.91 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 53' ' ' LEU . 4.1 mt -101.54 143.31 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' N ' HG21 ' A' ' 44' ' ' ILE . 1.2 mt-10 -91.13 137.06 32.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 71.6 p -144.58 144.65 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -46.29 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -49.24 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.49 -166.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.15 106.74 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -107.09 167.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 2.5 m -124.16 147.8 47.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -85.94 121.69 28.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.18 149.4 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.45 145.29 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.94 -18.34 17.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -148.29 163.44 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -95.19 130.28 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.95 -179.98 44.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mm -97.68 135.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 88.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -50.7 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -146.88 173.83 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 64.1 mt -121.65 82.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ILE . 38.4 t -39.1 -60.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.18 118.84 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -81.07 -178.53 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.2 pt-20 -75.56 145.08 41.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.54 -3.06 46.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.589 1.181 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 m -85.24 123.89 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -105.94 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m120 41.58 72.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.435 ' CG2' ' HE1' ' A' ' 12' ' ' MET . 8.7 mm -110.79 89.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 157.87 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.42 159.56 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.96 46.03 92.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -125.17 128.43 48.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.7 mt -69.94 120.19 15.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 53' ' ' LEU . 31.6 pt -111.16 -28.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.31 153.69 24.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.45 134.84 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 81' ' ' LEU . 21.4 mt -106.46 153.59 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 m -140.85 131.53 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -38.76 123.2 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.82 129.09 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.06 -56.59 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.6 mt-10 -40.37 125.61 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -56.72 88.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' GLU . 33.2 p-90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 108.027 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.86 106.81 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 1.6 ptpp? -77.61 124.04 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.8 mt -85.49 98.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.2 mt -91.05 141.02 29.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.458 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.7 tpp -54.25 116.51 10.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.39 42.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.5 p -84.52 57.12 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' SER . 36.9 mt -40.34 -58.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -81.93 151.68 67.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.56 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -135.29 50.63 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.6 ttt -103.64 147.75 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.13 -27.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.237 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.51 167.34 27.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -131.52 -170.05 12.53 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.31 114.0 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.324 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.07 111.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.52 -57.03 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 12.3 ttpt -153.37 146.99 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.514 ' CE2' HG22 ' A' ' 64' ' ' ILE . 43.5 m95 -87.54 121.51 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.7 mt -77.28 -11.5 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -127.1 164.12 22.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.34 167.42 11.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -72.69 120.85 18.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.68 -11.99 38.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.75 156.06 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.08 166.62 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLY . 66.4 t -142.19 145.04 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -129.03 135.88 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.62 131.38 46.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.14 -39.21 2.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.52 142.03 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -69.99 138.88 52.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.9 mt -102.36 -52.02 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -150.0 176.65 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -105.25 115.93 31.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 53' ' ' LEU . 3.3 mm -92.98 131.37 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.98 134.98 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.2 p -144.22 153.15 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -42.79 -50.13 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.14 -170.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 p -81.63 102.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' ILE . 4.9 t -91.81 168.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 6.3 m -122.41 145.9 47.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -94.85 115.44 27.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.91 147.08 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -72.29 136.35 46.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -141.7 150.46 41.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.68 132.36 35.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.66 -169.26 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.7 mm -102.24 130.66 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 87.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HB1' ' CG2' ' A' ' 83' ' ' VAL . . . -54.88 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CE ' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -142.93 171.86 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.514 HG22 ' CE2' ' A' ' 27' ' ' TRP . 70.4 mt -125.52 85.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.427 HG21 ' CE ' ' A' ' 63' ' ' LYS . 21.9 t -38.75 -59.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.09 120.71 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -87.52 179.64 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.227 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.7 pt-20 -74.37 142.85 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.13 -11.78 31.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 151.93 31.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CD ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -137.2 162.71 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.476 ' OD1' ' CD ' ' A' ' 71' ' ' LYS . 24.0 m120 59.24 72.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.458 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 5.3 mm -111.91 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 163.75 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 11.6 mt -74.04 157.01 36.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.9 34.95 83.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.571 1.169 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -114.32 144.32 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.98 120.41 25.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -111.58 -29.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.2 153.42 24.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.6 137.29 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.418 ' N ' HD11 ' A' ' 81' ' ' LEU . 8.5 mt -114.38 150.75 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' HB1' ' A' ' 62' ' ' ALA . 5.6 m -141.05 130.78 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.78 115.7 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.99 131.27 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.05 -33.87 4.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 156.03 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 85.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.4 p-90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.003 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -103.38 110.44 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 12.7 ptpt -81.89 124.12 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.42 ' N ' HD23 ' A' ' 78' ' ' LEU . 6.0 mt -85.74 104.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -98.71 137.99 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 35.4 tpp -49.81 117.92 7.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 171.86 17.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 58.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -41.27 -57.78 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.03 161.03 72.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.95 18.37 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.517 1.798 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -148.81 64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 3.6 ttt -109.23 141.93 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.7 -27.88 8.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.01 166.65 32.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.22 -165.92 10.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.18 110.21 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.16 112.96 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.2 -56.79 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 10.4 tttt -155.97 139.92 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.42 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.3 m95 -79.98 126.22 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -82.96 -5.03 58.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -131.54 157.35 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -113.57 162.8 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.93 115.6 8.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.79 -10.78 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 153.64 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 164.93 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.9 t -142.04 145.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -134.17 138.27 45.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 132.33 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 -38.16 3.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.68 136.64 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.813 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -65.3 134.47 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.58 -53.91 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 p -151.14 171.36 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.326 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.96 114.99 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 53' ' ' LEU . 3.3 mm -94.01 132.15 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.68 134.29 34.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 3.2 p -142.26 145.35 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -46.12 -51.47 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -44.07 -63.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -173.57 -167.25 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.25 121.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.5 160.8 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 20.9 m -117.55 142.5 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 44' ' ' ILE . 1.1 tt -91.06 113.29 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.51 151.28 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 145.77 52.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -12.61 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -157.01 167.71 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -102.89 127.51 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.26 -171.24 38.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.7 mm -102.1 134.24 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.49 87.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.63 -68.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 1.4 pttt -144.18 172.51 12.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 81.7 mt -125.04 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 42.1 t -39.79 -58.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 t -114.02 125.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.87 175.63 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.1 pm0 -68.4 151.73 46.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.92 -11.76 64.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.38 130.91 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -109.28 178.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 46.18 78.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 9.5 mm -107.78 85.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' ILE . 4.8 mtt-85 -36.94 154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 19' ' ' MET . 5.0 mt -67.2 155.59 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.46 59.92 5.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 m -126.18 133.4 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 10' ' ' ILE . 1.2 mt -65.14 117.83 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 pt -111.41 -18.48 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.7 21.3 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.117 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.31 134.49 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.18 150.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.79 130.52 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 6.8 mt-10 -43.51 112.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -39.22 137.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.51 16.75 23.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -117.53 167.22 11.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.01 58.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.17 106.56 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 2.3 ptpp? -80.82 128.29 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.88 113.19 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 9' ' ' LYS . 3.6 mt -104.01 134.57 47.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.0 tpp -48.79 107.41 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.26 43.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 p -78.78 58.35 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.04 -32.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.415 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.6 m -123.02 152.01 62.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 109.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.5 Cg_endo -74.98 133.58 16.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.506 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 65.87 25.56 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.422 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.1 ttt -78.25 125.79 29.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.2 -30.71 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -164.35 -177.26 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.14 27.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -133.77 114.0 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.339 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.12 101.13 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.8 t -59.17 -64.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.0 ttpt -156.06 160.21 39.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CZ2' HG21 ' A' ' 64' ' ' ILE . 48.3 m95 -96.24 125.26 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.8 mt -81.75 -16.58 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.67 153.07 39.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -105.94 164.84 11.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.26 117.2 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 114.24 -12.24 21.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 155.63 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -77.11 163.34 26.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' GLY . 23.6 t -141.8 148.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.358 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.57 158.89 37.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.52 141.43 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.76 41.85 95.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -127.82 139.58 52.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.58 120.65 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.7 mt -95.77 -53.34 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.34 169.74 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.8 mt-10 -106.04 123.43 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 53' ' ' LEU . 14.1 mt -111.98 144.04 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 44' ' ' ILE . 1.4 mt-10 -91.63 145.44 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 2.7 p -144.53 145.55 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.367 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -40.46 -40.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -74.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -162.69 -162.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.56 118.8 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -117.72 167.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -119.86 147.16 45.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.14 121.55 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -100.94 153.23 19.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.1 151.45 23.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -104.36 -24.25 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.74 164.03 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.24 126.89 40.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.7 -175.48 36.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -106.09 133.04 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 92.56 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.51 -67.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -141.59 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.555 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 84.0 mt -121.65 81.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' ILE . 40.5 t -39.42 -58.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.9 t -102.05 117.19 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.89 172.26 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pp20? -72.15 150.45 43.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.34 -13.89 51.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.89 173.57 12.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.25 162.86 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.45 63.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.38 96.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -63.81 174.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.79 152.32 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.27 49.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -73.1 124.4 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.7 128.69 37.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.13 -31.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.94 24.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -115.6 130.21 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 83' ' ' VAL . 45.8 mt -99.96 150.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' N ' HG22 ' A' ' 82' ' ' ILE . 29.2 m -137.99 130.18 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 87' ' ' GLU . 1.1 mt-10 -41.55 124.09 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -38.58 115.21 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.85 3.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 5.6 mm-40 -139.51 48.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.46 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 14.8 p-90 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -113.23 110.16 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.237 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -83.65 123.44 29.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 82' ' ' ILE . 4.7 mt -90.46 114.79 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.31 140.84 39.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.452 ' CE ' HG22 ' A' ' 73' ' ' ILE . 44.8 tpp -49.42 115.87 5.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.11 162.37 36.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -88.63 58.18 4.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -41.88 -60.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.32 156.51 85.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -137.43 52.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttt -98.99 143.4 29.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.86 -25.94 10.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -164.05 156.09 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -120.82 -168.58 13.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -153.91 110.8 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mp -69.56 107.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.98 -59.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 15.3 tttt -154.2 142.49 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -81.99 125.57 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' LEU . 87.6 mt -86.73 2.3 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mmtm -135.99 159.92 40.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -117.08 159.11 23.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.06 122.87 20.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.76 -8.87 43.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.63 155.72 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 110.247 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.53 165.89 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' GLY . 58.8 t -141.95 149.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -129.97 142.59 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.3 39.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.72 -36.53 4.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.99 152.96 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -78.24 131.94 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.6 1.188 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.5 mt -98.67 -56.06 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.14 167.64 27.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.372 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -97.99 116.05 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.451 ' CD1' HD12 ' A' ' 53' ' ' LEU . 3.4 mm -92.74 132.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.58 128.57 38.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' CG2' ' A' ' 51' ' ' VAL . 22.9 p -142.48 149.67 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -39.84 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -57.28 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.07 -171.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -85.68 106.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -110.99 163.82 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 4.8 m -119.16 144.53 46.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -86.61 110.1 19.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.86 151.16 24.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.61 137.3 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.0 m -92.96 -29.61 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -133.46 162.81 30.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.6 121.81 42.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -166.8 -176.01 37.45 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mm -96.68 134.59 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.31 88.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . . . -47.57 -65.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.33 179.49 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.8 mt -128.29 98.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' ILE . 38.2 t -55.83 -55.8 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.7 t -107.62 112.59 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.97 165.05 22.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.5 pt-20 -59.92 148.13 36.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.66 57.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -84.11 125.11 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -103.79 175.26 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.8 m120 43.88 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.452 HG22 ' CE ' ' A' ' 12' ' ' MET . 3.5 mm -120.98 86.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.61 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.34 154.28 24.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.91 39.75 64.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.7 118.32 29.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.49 121.43 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' VAL . 40.1 pt -110.23 -25.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.52 153.93 17.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.79 157.54 22.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.489 HG21 ' N ' ' A' ' 83' ' ' VAL . 74.5 mt -123.55 144.46 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.489 ' N ' HG21 ' A' ' 82' ' ' ILE . 6.9 m -127.33 131.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mt-10 -44.26 125.69 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -38.68 139.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.21 -59.09 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.69 147.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -77.03 89.86 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.035 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -100.23 107.33 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 10.7 ptpt -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CD1' HG13 ' A' ' 82' ' ' ILE . 60.2 mt -76.08 106.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 9' ' ' LYS . 12.0 mt -102.08 140.6 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.456 ' CE ' HG23 ' A' ' 73' ' ' ILE . 41.9 tpp -55.38 112.96 4.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.41 35.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -76.45 57.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -41.79 -51.38 4.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 157.22 56.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -140.9 58.92 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 4.0 ttt -110.49 143.94 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.84 -25.99 9.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.51 -178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.0 32.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -127.97 111.96 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.1 102.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . 16.9 t -62.34 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 6.7 ttpp -154.1 150.89 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -87.64 125.29 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.83 -4.47 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -130.72 159.56 36.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.37 161.17 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.24 109.77 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 122.73 -36.22 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.152 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.64 155.05 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -75.14 169.26 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 47.8 t -142.05 146.52 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -131.74 137.13 48.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 130.45 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.82 -38.33 3.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.87 142.13 58.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -66.26 141.19 58.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 35' ' ' VAL . 17.4 mt -105.5 -53.35 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -157.98 172.57 18.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.9 mt-10 -105.47 134.32 48.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 45' ' ' GLU . 31.9 mt -123.98 142.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' ND2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -90.23 140.39 29.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 22.0 p -144.38 152.83 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -45.12 -43.35 9.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -163.09 -168.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.61 102.05 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 m -101.64 164.87 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.402 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 23.2 m -118.06 145.22 44.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.86 114.82 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.21 135.57 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 141.99 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.66 -38.36 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -137.8 159.83 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.87 130.85 35.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -174.23 -175.86 42.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 2.4 mm -108.78 127.39 65.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 88.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.81 -58.37 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.185 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.09 176.18 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.487 ' CG2' ' OE2' ' A' ' 67' ' ' GLU . 79.4 mt -129.04 82.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.7 t -39.34 -60.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.85 114.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 64' ' ' ILE . 19.7 mm-40 -79.17 -174.41 4.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.3 pt-20 -79.03 151.51 31.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.39 -19.59 52.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.56 158.74 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 -156.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 47.01 56.85 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 HG23 ' CE ' ' A' ' 12' ' ' MET . 4.5 mm -98.38 83.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -40.37 160.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 19' ' ' MET . 4.1 mt -66.07 149.11 50.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.68 54.49 13.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -113.31 147.49 37.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.81 118.45 20.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.23 -32.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.5 156.26 27.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.428 1.08 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -112.1 136.42 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 42.5 mt -110.89 146.18 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 82' ' ' ILE . 27.5 m -130.98 139.42 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.69 131.06 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -38.37 112.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.55 64.84 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.73 39.78 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 50.06 75.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.429 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 11.2 p-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.09 107.39 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.21 126.89 32.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 78' ' ' LEU . 14.4 mt -90.6 105.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.85 143.17 29.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.0 tpp -53.64 115.42 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.428 1.752 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 p -92.08 57.41 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -41.12 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.46 150.15 50.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.06 17.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.9 p -134.32 49.32 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.452 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -111.11 132.11 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -96.42 -28.25 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -159.78 169.77 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -135.41 175.96 20.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -135.28 110.73 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.52 102.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.56 -60.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -156.54 147.19 21.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.56 126.63 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 40' ' ' ALA . 55.1 mt -86.82 -6.17 58.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.423 ' CB ' HD12 ' A' ' 61' ' ' LEU . 11.9 mmtm -128.63 157.81 40.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -112.33 163.23 14.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 118.29 14.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.54 30.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.58 163.78 27.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.07 163.85 17.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLY . 22.1 t -142.11 140.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -129.5 127.61 41.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.2 134.23 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.6 42.5 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -67.62 111.81 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 55' ' ' ALA . 18.0 mt -87.81 -54.55 4.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.4 p -155.77 168.1 28.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.84 128.62 53.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 45' ' ' GLU . 47.8 mt -115.92 141.93 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 3.7 mt-10 -84.05 138.55 33.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.419 ' CG2' HG21 ' A' ' 51' ' ' VAL . 4.6 p -144.34 147.87 34.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -44.34 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -59.69 -68.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.05 -167.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.4 p -85.48 96.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' CG2' ' A' ' 46' ' ' THR . 2.6 t -90.12 168.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.473 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 9.7 m -118.61 144.88 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' N ' HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -87.98 110.64 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -86.6 149.73 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 41' ' ' LEU . . . -83.03 139.78 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -22.4 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.58 166.72 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.09 126.97 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.39 -172.65 35.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.42 133.83 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -64.68 88.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -52.38 -63.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.201 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.3 pttt -150.23 174.34 12.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 58.1 mt -123.45 86.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 ' CE ' ' A' ' 63' ' ' LYS . 47.3 t -39.61 -54.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.8 t -114.78 116.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.29 -175.34 3.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.56 146.58 29.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.71 -3.51 34.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -86.62 155.82 20.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 164.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m120 58.56 64.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.442 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 8.2 mm -100.33 97.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -59.26 155.76 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.05 163.73 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.75 39.24 93.4 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -119.67 129.61 54.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.056 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 10' ' ' ILE . 1.2 mt -66.86 122.63 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.5 pt -110.68 -29.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.73 153.63 24.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.72 129.05 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.435 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 27.5 mt -100.18 153.38 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -135.07 132.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -38.34 126.41 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.92 123.16 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.62 -53.35 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.96 126.27 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.04 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' GLU . 32.2 p-90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.07 109.25 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -85.06 127.18 34.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 mt -91.0 104.86 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 mt -100.01 143.24 30.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.422 ' CE ' HG21 ' A' ' 73' ' ' ILE . 44.2 tpp -55.44 112.06 3.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 153.87 42.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.756 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -77.4 61.32 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -48.1 -58.0 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 156.42 85.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.88 12.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.84 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -145.66 56.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.77 136.4 45.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.53 -29.21 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -158.54 157.96 33.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -119.67 -163.54 12.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.171 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -157.73 109.59 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.81 104.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.77 -58.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 30.1 ttpt -158.51 145.68 17.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.474 ' CZ2' HG22 ' A' ' 64' ' ' ILE . 60.0 m95 -82.97 129.37 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 107.929 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 34.5 mt -85.63 -8.44 58.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -127.16 164.1 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.39 119.86 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.513 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 108.89 -28.8 10.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 155.57 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -79.71 167.39 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' GLY . 43.1 t -141.84 145.68 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -132.04 137.94 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 130.47 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.76 -29.91 11.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.87 150.61 46.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -74.81 138.92 42.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.7 mt -103.65 -53.09 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 27' ' ' TRP . 24.4 p -158.18 175.64 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.339 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.55 136.84 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 53' ' ' LEU . 38.5 mt -123.24 145.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 44' ' ' ILE . 1.4 mt-10 -91.59 140.8 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 51' ' ' VAL . 6.4 p -144.82 153.74 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.24 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -64.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.57 -167.99 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.59 102.75 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 46' ' ' THR . 2.5 m -103.13 155.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 53.5 m -108.51 140.66 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -84.88 124.25 31.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.83 145.88 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . . . -64.45 149.75 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -18.77 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.12 169.55 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 123.93 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.226 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.29 -170.03 33.34 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.54 131.17 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 91.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.73 141.58 24.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.172 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 57.2 mt -92.1 85.13 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 57.9 t -39.33 -59.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.31 110.5 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.73 -177.7 5.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -76.55 160.13 29.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.45 80.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -90.07 124.93 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -102.83 172.69 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 49.94 81.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 HG21 ' CE ' ' A' ' 12' ' ' MET . 4.4 mm -117.62 88.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -51.83 169.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.89 162.6 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.98 35.29 82.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.177 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -111.71 122.34 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 11' ' ' LEU . 1.4 mt -64.16 119.21 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 pt -107.41 -28.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.77 154.02 24.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -116.53 130.1 56.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 11.2 mt -98.68 151.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 5.9 m -139.47 135.49 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.2 mt-10 -38.95 122.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -38.77 99.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 97.92 56.5 1.07 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -144.32 65.14 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 40.32 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.513 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 21.1 p-90 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 mt -102.16 109.41 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 17.7 ptpt -81.9 124.92 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 HG23 ' CG1' ' A' ' 79' ' ' ILE . 5.6 mt -87.31 103.11 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.25 141.29 30.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE1' ' CG2' ' A' ' 73' ' ' ILE . 39.8 tpp -56.3 115.95 11.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 159.09 41.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -85.93 57.57 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 mt -42.32 -51.52 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.36 163.96 40.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.71 7.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.449 1.762 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.7 p -138.86 63.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.497 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.2 ttt -108.03 131.74 54.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -24.94 13.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -162.5 154.08 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -122.3 -165.74 12.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -152.65 112.69 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.9 110.75 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.211 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.7 -59.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.1 ttpp -151.92 147.74 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.402 ' CZ2' HG21 ' A' ' 64' ' ' ILE . 51.4 m95 -87.22 121.96 30.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 40' ' ' ALA . 56.9 mt -76.81 -16.64 59.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -123.49 160.29 27.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -116.23 169.92 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.6 115.54 12.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 118.56 -40.37 2.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.27 158.66 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.41 165.4 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 21.4 t -141.86 144.1 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -125.42 161.27 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.934 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 132.36 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.87 -36.23 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.11 141.72 49.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -68.63 141.44 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.08 -54.21 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -151.62 175.73 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 108.345 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -104.53 116.34 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 53' ' ' LEU . 3.2 mm -93.29 135.91 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -98.29 131.13 44.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -138.23 147.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.09 -47.5 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -66.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.97 -170.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.57 124.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.27 159.21 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 53.2 m -116.25 140.32 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.6 122.72 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -98.89 152.68 19.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.4 142.29 39.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 t -96.67 -27.33 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -138.75 155.66 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.46 131.35 34.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -173.52 -178.61 43.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.3 mm -103.13 133.17 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 88.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.23 142.01 26.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.402 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 67.8 mt -93.61 87.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.21 -58.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.66 122.72 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.89 -179.37 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pt-20 -71.39 165.82 22.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.39 11.64 79.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -94.04 107.89 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.72 159.97 15.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.33 77.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.476 ' CG2' ' HE1' ' A' ' 12' ' ' MET . 11.1 mm -110.33 90.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ILE . 6.7 mtt180 -37.83 156.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 19' ' ' MET . 4.8 mt -67.7 156.92 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.48 51.6 3.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.7 m -111.81 138.02 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.7 mt -68.6 117.69 10.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG1' HG23 ' A' ' 10' ' ' ILE . 35.4 pt -108.53 -25.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.23 153.92 24.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.95 129.05 55.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 10.2 mt -102.59 151.91 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -135.77 139.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.32 125.24 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.4 107.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 58.8 1.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -146.99 58.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 42.06 79.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.437 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 50.7 p-90 . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' ILE . 5.5 mt -94.14 110.06 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 3.0 ptpp? -73.02 128.69 36.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -83.01 109.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 mt -107.89 136.65 47.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.5 tpp -50.53 106.1 0.6 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.54 40.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -77.35 59.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 44' ' ' ILE . 81.4 mt -46.51 -29.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.3 m -124.54 156.63 67.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 143.58 28.94 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p 52.2 25.41 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.405 ' O ' ' CG ' ' A' ' 19' ' ' MET . 2.9 ttt -72.98 105.64 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.21 -32.14 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -177.39 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -149.7 -164.94 12.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.66 122.72 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.37 106.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.92 -61.91 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 18.2 ttpt -152.11 159.41 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -96.44 123.14 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.9 mt -78.54 -18.31 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -118.52 168.42 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -118.78 172.39 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -75.38 124.79 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.3 -13.06 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.118 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.01 160.35 31.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.07 166.5 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 55' ' ' ALA . 59.4 t -141.95 142.09 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -131.97 141.94 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.67 129.65 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 -40.84 2.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.46 146.11 36.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 135.26 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' LEU . 26.4 mt -99.52 -53.26 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 p -151.17 170.17 20.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -98.53 114.66 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 53' ' ' LEU . 2.7 mm -94.56 133.16 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 68.1 p -144.12 144.21 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.43 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.24 -41.44 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.45 -68.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -164.25 -169.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -86.37 107.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.55 166.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 53' ' ' LEU . 5.2 m -123.72 144.7 49.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -84.99 118.69 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.15 138.96 37.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -62.72 139.63 58.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -96.69 -18.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -149.68 162.43 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.08 127.06 36.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.85 -178.54 41.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.84 132.89 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 88.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . . . -50.32 -56.44 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -157.16 172.6 18.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.415 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 80.2 mt -122.07 83.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.17 -60.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.34 123.21 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.45 -179.18 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pp20? -75.98 145.21 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.14 -18.38 18.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.67 164.88 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 153.25 41.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.39 72.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.403 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 8.6 mm -108.9 88.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 168.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.94 159.43 33.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 41.38 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -114.41 133.63 55.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.32 106.6 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.4 pt -106.73 -11.41 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.21 14.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -116.47 139.19 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.739 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 32.9 mt -111.31 144.86 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 62' ' ' ALA . 35.8 m -133.22 130.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -39.21 127.31 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.02 125.0 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . 110.89 -53.7 0.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.6 mm-40 -38.72 125.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.9 p-90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -143.23 135.33 26.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 109.97 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -169.43 91.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.3 150.69 19.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -154.98 159.7 40.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -142.77 90.52 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.63 -172.16 14.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -112.63 112.58 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -82.87 128.87 34.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.7 mt -94.92 115.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.02 139.24 45.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 46.4 tpp -47.45 114.36 3.03 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.96 160.53 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.66 56.7 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD1' ' HB ' ' A' ' 44' ' ' ILE . 54.8 mt -41.97 -52.33 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.32 60.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.07 8.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 p -138.55 58.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.6 ttt -106.16 136.84 45.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.09 -27.99 13.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -160.27 170.08 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -132.54 -169.25 12.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.72 110.6 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.65 107.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.3 -59.89 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -156.08 140.23 16.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -76.77 133.09 39.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD12 ' CB ' ' A' ' 40' ' ' ALA . 44.4 mt -91.17 -6.66 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -131.7 160.22 36.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -116.41 164.1 15.05 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -69.8 120.83 16.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.64 -14.78 35.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.66 156.06 27.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.22 164.81 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t -142.03 144.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.52 130.09 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.6 -40.29 2.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.83 153.49 13.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -81.32 132.83 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -98.1 -55.71 2.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 p -151.81 166.8 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.233 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.95 114.89 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' HB ' ' CD1' ' A' ' 15' ' ' LEU . 3.4 mm -93.17 126.92 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.77 134.51 33.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.238 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.415 HG21 ' CG2' ' A' ' 51' ' ' VAL . 7.3 p -144.27 150.58 38.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -43.2 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -59.67 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.82 -173.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.6 p -87.28 105.71 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' CG2' HG21 ' A' ' 46' ' ' THR . 2.5 m -110.1 157.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 7.5 m -113.58 148.69 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -91.15 110.88 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -88.91 149.45 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.1 133.9 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -89.82 -22.72 21.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.36 167.37 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.55 125.29 49.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.97 -179.16 41.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.2 mm -96.99 134.22 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.248 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 88.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.91 -65.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' NZ ' HG21 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -152.6 176.76 11.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 74.5 mt -126.44 106.64 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG21 ' NZ ' ' A' ' 63' ' ' LYS . 68.0 t -66.62 -52.16 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.065 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.8 t -107.04 111.21 34.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.56 165.72 20.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -64.04 148.24 50.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -17.57 33.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.49 144.6 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.972 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.18 153.24 43.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.01 74.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' GLY . 3.9 mm -109.25 88.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -50.51 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.36 156.7 26.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.78 40.41 75.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -120.77 128.87 53.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.797 . . . . 0.0 109.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.14 120.44 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.1 pt -110.77 -19.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.52 156.91 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.42 157.47 23.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 28.3 mt -118.75 153.47 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.78 133.78 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.222 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 2.4 mt-10 -47.17 125.54 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -38.72 127.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.16 -56.2 0.47 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.92 137.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.61 89.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 48.3 p-90 -57.69 -49.1 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 3.5 tttm -51.53 -62.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.51 121.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.63 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.81 147.66 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t 179.57 148.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 149.83 -157.1 27.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.45 149.24 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.6 m 63.53 86.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -101.32 73.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.962 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -170.98 123.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.069 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.94 73.89 0.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 99.59 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.049 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -106.48 101.72 11.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . 144.7 -174.16 24.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 mt -106.44 104.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.06 118.68 21.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.9 mt -89.84 118.61 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.3 138.27 47.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.433 ' CE ' HG22 ' A' ' 73' ' ' ILE . 46.0 tpp -48.65 111.19 1.74 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.68 38.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 57.27 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.37 -55.67 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.9 159.01 79.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -134.57 54.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.2 ttt -103.59 122.01 44.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -27.99 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 2.4 pt-20 -164.92 175.9 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.06 171.82 24.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.21 20.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -72.78 103.72 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.68 -64.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 5.2 ttpt -151.97 151.84 31.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.8 120.68 29.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.014 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 33.7 mt -76.26 -9.45 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' CB ' HD11 ' A' ' 61' ' ' LEU . 4.9 mttm -125.69 157.7 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -111.6 160.1 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.92 117.3 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.54 -28.77 8.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.72 161.77 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 0.816 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.11 168.37 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.88 141.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -129.83 123.39 30.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . . . -39.44 135.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 32.31 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.53 142.62 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' HB1' ' CD1' ' A' ' 28' ' ' LEU . . . -67.09 121.33 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' LEU . 12.1 mt -97.32 -55.95 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.16 170.89 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -100.7 117.87 35.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 53' ' ' LEU . 2.8 mm -96.51 137.3 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.35 131.72 37.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 p -138.33 158.93 43.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -25.24 65.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -56.77 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -179.71 -169.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.9 p -82.19 108.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.5 166.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 3.9 m -122.08 145.63 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.35 119.38 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.27 151.86 19.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.68 158.85 31.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -24.82 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.75 166.4 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.26 123.93 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.11 -167.55 29.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -108.41 138.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.98 90.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 83' ' ' VAL . . . -51.84 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.92 142.36 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.7 mt -92.29 85.43 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -40.32 -59.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.06 106.37 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -74.67 165.81 24.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.7 pt-20 -57.83 167.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.51 -7.96 73.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 83.9 p -71.96 165.51 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.98 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 160.64 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.89 52.95 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.433 HG22 ' CE ' ' A' ' 12' ' ' MET . 10.9 mm -94.8 84.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.465 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 14.5 ptt180 -53.39 178.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -84.36 149.98 25.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.36 42.43 49.37 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -123.86 119.96 31.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.74 115.45 4.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.7 pt -104.49 -34.09 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.22 154.12 24.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.068 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -115.73 156.24 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.473 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 10.7 mt -122.82 140.88 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 62' ' ' ALA . 21.0 m -122.54 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.2 mt-10 -39.0 123.94 1.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 2.6 mt-10 -38.32 140.56 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.39 -57.9 1.0 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 127.67 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.46 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -58.5 -44.58 89.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -52.26 117.49 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -49.87 140.93 11.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.62 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.4 t -121.18 -68.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 t -172.4 146.33 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.79 177.24 18.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 59.21 5.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.1 t 44.64 85.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 m -87.15 -58.97 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -142.02 -57.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 p -100.17 114.2 27.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.405 1.066 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 173.63 15.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -154.07 -61.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -99.21 170.72 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.88 164.21 13.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -96.23 108.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.232 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.87 132.53 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 HG23 ' CG1' ' A' ' 79' ' ' ILE . 62.2 mt -92.31 111.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.38 140.37 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.407 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.9 tpp -53.32 110.99 2.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 159.41 41.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -82.31 59.57 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.935 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.8 mt -44.4 -53.49 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -78.47 170.26 17.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -136.5 61.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 16' ' ' SER . 0.5 OUTLIER -90.99 153.23 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -113.37 -15.29 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.35 178.1 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.13 -168.35 11.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -157.0 108.65 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.68 111.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.23 -52.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.4 tttt -160.12 153.81 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CZ2' HG22 ' A' ' 64' ' ' ILE . 49.8 m95 -92.9 127.76 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' LEU . 31.1 mt -83.37 -14.53 52.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -122.38 159.77 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -112.99 171.29 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -74.2 125.68 28.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 99.45 -13.54 61.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.05 157.38 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 0.792 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.81 166.56 20.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLY . 58.5 t -141.84 148.25 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -132.77 138.38 47.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.83 129.79 43.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.17 -28.18 16.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.66 148.8 36.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -76.59 133.44 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' LEU . 18.4 mt -96.97 -53.18 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.7 p -149.79 167.74 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -96.36 118.22 32.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 53' ' ' LEU . 2.8 mm -95.77 130.29 44.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -93.91 134.12 36.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -141.98 145.58 34.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -46.91 -40.29 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -69.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.54 -169.14 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.2 p -88.48 100.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.56 155.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 9.1 m -113.4 144.47 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.452 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.18 123.66 34.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.45 144.19 31.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.9 150.9 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -22.39 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -147.17 143.24 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 124.91 28.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.05 -176.58 39.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.3 mm -99.21 135.25 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 0.725 . . . . 0.0 109.253 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.2 89.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.92 -67.63 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.96 142.19 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.572 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 66.0 mt -93.84 84.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' ILE . 46.6 t -40.18 -59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.03 115.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.61 172.38 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -71.36 138.29 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.72 -2.26 15.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.02 157.07 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 145.57 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 71.78 79.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.6 mm -115.41 96.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.98 176.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -86.11 153.53 22.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.88 31.22 64.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -113.72 124.67 52.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 0.816 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -67.09 118.61 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.462 ' CG1' HG23 ' A' ' 10' ' ' ILE . 24.8 pt -107.58 -26.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.38 153.85 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -118.5 134.73 54.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 54.6 mt -105.81 150.63 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 82' ' ' ILE . 2.0 m -129.35 143.14 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . 3.2 mt-10 -48.18 124.31 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.46 144.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.92 64.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.68 162.51 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -70.07 74.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 43.5 p-90 -75.14 -53.29 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 108.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' HB3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -46.77 111.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.598 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.13 -58.68 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -71.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.61 -156.04 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.68 4.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.2 p -131.51 167.98 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.043 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.6 m -63.57 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.98 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.03 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -164.78 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.02 68.33 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.91 131.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.942 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -139.84 124.27 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.12 -176.3 32.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -103.32 107.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 8.3 ptpt -80.2 126.27 30.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.437 ' CD1' HG13 ' A' ' 82' ' ' ILE . 6.8 mt -87.6 106.88 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.69 143.54 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE3' ' CG2' ' A' ' 73' ' ' ILE . 41.5 tpp -54.47 112.67 4.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 155.34 42.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 p -79.91 58.98 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 44' ' ' ILE . 7.4 mt -43.63 -45.91 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 157.7 44.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.5 Cg_endo -75.02 -19.89 17.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.422 1.749 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.401 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 80.9 p -152.68 66.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.56 120.8 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -34.68 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -161.61 170.85 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.447 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -135.34 -160.78 9.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 1.4 m-80 -159.6 115.66 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mp -69.81 113.96 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 t -71.41 -58.35 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 14.0 ttpt -155.45 146.13 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 41.6 m95 -84.13 125.79 32.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 32.4 mt -81.43 -18.18 46.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -119.51 162.48 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -113.12 173.17 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.07 128.37 33.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.42 -9.35 64.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.24 156.37 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.62 166.69 23.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.92 144.1 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -131.27 140.95 49.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.34 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.92 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.39 1.056 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.11 144.16 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -75.1 137.84 41.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' LEU . 26.2 mt -102.26 -53.8 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -149.36 173.66 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -104.7 121.88 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 HG13 ' CD1' ' A' ' 15' ' ' LEU . 3.2 mm -98.18 145.84 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.52 131.88 46.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 6.4 p -138.38 145.91 41.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -34.67 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -66.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -169.0 -167.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.93 114.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.92 165.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 29.2 m -122.17 141.4 51.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.414 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.6 OUTLIER -86.66 115.7 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -94.09 148.1 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.16 141.52 49.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.06 -32.35 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.84 165.02 26.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.99 122.0 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.35 -179.11 40.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.76 136.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.233 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 88.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -50.56 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -154.3 174.87 14.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' VAL . 63.7 mt -121.27 81.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.5 t -38.05 -57.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -111.92 118.79 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.11 -178.73 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.3 pt-20 -70.45 164.07 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.33 -1.91 73.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.8 m -75.06 113.01 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.82 168.62 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 48.76 72.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 ' CG2' ' HE3' ' A' ' 12' ' ' MET . 9.1 mm -108.47 87.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -56.82 167.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.5 mt -75.91 157.52 33.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.81 34.93 90.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -112.89 128.94 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.777 . . . . 0.0 109.972 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -71.05 117.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.6 pt -110.97 -23.67 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.24 153.78 24.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -119.12 128.63 54.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.437 HG13 ' CD1' ' A' ' 10' ' ' ILE . 7.9 mt -100.61 153.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.445 HG13 ' CB ' ' A' ' 62' ' ' ALA . 3.6 m -139.51 131.46 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -38.67 122.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -42.45 123.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.76 -57.95 0.5 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.0 tt0 -40.51 132.08 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -61.21 83.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.471 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 45.4 p-90 -46.91 -48.07 21.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.471 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 1.5 tttt -53.04 128.73 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -66.9 170.42 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.1 t 60.54 110.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -109.64 140.17 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.82 -156.16 7.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.1 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -110.65 105.3 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -95.38 -58.1 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -94.59 -57.34 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.944 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m 73.44 -68.1 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.35 103.08 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -78.25 101.08 6.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 0.826 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -145.8 107.71 4.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.034 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.67 165.56 22.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.0 mt -95.4 110.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 9.5 ptmt -84.0 113.81 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 mt -74.57 121.18 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -115.28 139.24 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.1 tpp -49.89 112.36 2.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.38 42.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 56.98 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.7 mt -40.7 -43.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.6 150.35 37.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.86 21.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -139.2 52.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.9 ttt -112.94 116.88 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.88 -30.12 40.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 7.7 pt-20 -162.76 173.69 13.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -139.8 -173.98 13.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.591 1.182 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.87 119.47 6.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.03 114.73 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.36 -58.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 16.2 ttpp -152.12 143.85 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -84.31 126.34 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.045 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' LEU . 33.7 mt -84.43 -12.75 53.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -123.78 161.64 24.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.94 165.96 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -73.3 117.52 15.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.36 -20.62 23.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.92 160.56 32.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -84.15 166.93 17.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' GLY . 59.2 t -142.05 148.19 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -133.76 141.19 47.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.98 131.64 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.05 -33.43 5.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.0 149.86 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -79.35 143.24 35.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 28' ' ' LEU . 24.5 mt -107.84 -52.66 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 p -154.72 174.37 15.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.86 123.29 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 53' ' ' LEU . 4.5 mm -98.47 141.09 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 7.7 p -140.84 144.89 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -53.54 -32.35 50.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -63.48 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -171.79 -167.86 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -88.42 112.96 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.42 161.45 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.455 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 15.7 m -115.69 143.95 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -86.78 113.12 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.93 144.67 25.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.46 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.78 -18.72 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -146.37 169.86 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.38 124.43 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.96 178.34 42.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mm -96.06 133.77 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 88.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -49.63 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' CE ' HG22 ' A' ' 65' ' ' VAL . 21.4 pttt -149.1 175.18 11.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' CG2' ' OE2' ' A' ' 67' ' ' GLU . 64.8 mt -123.57 84.37 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 HG22 ' CE ' ' A' ' 63' ' ' LYS . 33.4 t -39.89 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -108.8 116.0 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.442 ' OE2' ' CG2' ' A' ' 64' ' ' ILE . 13.3 mm-40 -78.97 177.63 8.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.2 pt-20 -68.54 163.9 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.207 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.07 -8.05 68.58 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 169.53 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 161.86 40.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.94 59.28 2.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.633 1.208 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.7 mm -104.41 86.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.448 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 12.7 mtp180 -55.25 177.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.26 151.27 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.91 36.9 60.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.9 t -113.86 147.38 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 0.794 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.9 mt -84.15 116.21 22.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.392 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -111.08 -31.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.99 153.74 24.4 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -117.67 134.46 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 8.8 mt -104.09 154.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.82 134.05 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -44.92 122.52 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.78 124.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.55 -59.08 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -41.65 129.73 3.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.554 0.797 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.5 93.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -59.62 -46.62 88.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.32 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -45.23 -53.86 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.655 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.76 140.94 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.0 t -128.88 151.89 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.056 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.16 156.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.8 p -78.18 141.01 38.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -56.87 155.12 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.055 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -108.61 120.35 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 -59.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.83 -135.65 14.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 70.58 122.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -47.06 158.69 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.9 175.64 16.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 mt -103.64 108.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 1.4 pttt -81.66 120.42 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -87.34 116.82 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.391 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.9 mt -110.3 144.5 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.0 tpp -53.06 113.46 4.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 162.22 37.54 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' LEU . 17.3 p -90.29 56.33 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . 86.8 mt -39.51 -55.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.46 151.77 66.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.97 21.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.6 p -146.5 56.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.3 ttt -112.26 122.54 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.39 -26.32 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.56 173.49 9.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -145.22 174.79 25.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.39 124.68 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.31 103.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.89 -63.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 19.7 ttpt -150.05 156.82 42.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -92.33 122.76 35.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 107.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 82.1 mt -83.75 -2.15 55.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -134.43 159.08 42.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -115.25 159.74 20.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.9 124.54 23.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.44 -20.18 32.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.67 159.61 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.29 164.61 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 38.8 t -142.13 147.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.405 ' N ' HG11 ' A' ' 35' ' ' VAL . 4.3 t -131.81 156.85 45.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.07 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.82 43.49 96.08 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.6 142.43 51.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.67 118.11 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.6 mt -98.29 -54.55 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 p -151.08 170.06 20.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.32 115.67 29.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 53' ' ' LEU . 3.1 mm -92.85 138.47 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.68 130.52 43.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 60.6 p -138.96 143.97 38.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -35.93 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -66.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -166.59 -167.95 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -87.51 106.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -112.07 165.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.4 m -121.3 146.68 46.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' CD2' ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -85.04 130.63 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -107.45 151.65 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.74 144.15 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.16 -20.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -138.14 160.04 40.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 122.3 41.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.21 176.27 41.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mm -90.5 139.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.69 90.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -54.05 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.75 173.37 12.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 65' ' ' VAL . 64.1 mt -121.41 79.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 28.6 t -38.87 -60.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.1 t -104.03 113.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.88 -177.41 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.3 pt-20 -79.25 168.47 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.64 86.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 170.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 143.15 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.39 75.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' GLY . 6.5 mm -114.09 86.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -51.52 168.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.38 156.57 35.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.35 40.79 69.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 m -123.65 128.57 49.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -69.53 119.75 14.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.81 -26.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.76 153.68 24.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -120.42 131.87 54.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.431 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 9.5 mt -100.93 158.13 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.404 ' N ' ' CG2' ' A' ' 82' ' ' ILE . 2.6 m -139.82 132.88 35.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.57 123.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 140.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.84 65.48 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.56 159.71 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.86 86.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 90' ' ' LYS . 40.4 p-90 -82.85 -52.3 6.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.059 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 1.2 ptmt -78.41 138.67 38.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -57.75 111.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.2 t -145.61 108.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.2 m -85.81 87.35 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.66 149.29 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.93 3.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 t 51.65 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.0 p -79.17 100.43 7.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.088 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 p -107.67 158.81 16.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -143.69 -57.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.195 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.03 147.52 10.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -127.29 164.46 21.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 0.804 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -97.62 103.1 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.22 176.61 41.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -105.48 110.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.26 125.5 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' N ' HD22 ' A' ' 78' ' ' LEU . 4.9 mt -89.8 106.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.3 mt -101.15 143.5 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 tpp -53.19 112.41 3.58 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' HD11 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.14 152.98 40.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.52 57.37 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.8 mt -42.34 -51.42 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -85.27 161.54 51.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.985 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -30.69 6.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.1 p -139.28 61.95 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.416 ' N ' ' HG ' ' A' ' 16' ' ' SER . 2.1 ttt -108.97 108.28 18.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.185 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.72 -29.62 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.04 166.99 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -127.24 -166.94 12.23 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -156.29 108.34 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.36 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 t -69.08 -60.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 24.7 tttp -152.11 153.4 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -92.71 123.49 36.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 mt -76.5 -22.59 54.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -114.17 166.32 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.6 163.7 16.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.52 115.45 8.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.84 -16.68 20.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.511 1.132 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.76 163.89 26.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 0.776 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.07 165.95 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.46 ' CG1' HD23 ' A' ' 41' ' ' LEU . 58.8 t -142.02 143.97 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -131.14 135.87 47.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.31 30.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.59 -39.55 2.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.37 148.69 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 52' ' ' THR . . . -76.33 137.68 40.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD23 ' CG1' ' A' ' 35' ' ' VAL . 18.2 mt -102.31 -53.47 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -153.33 175.18 13.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 108.262 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -102.37 116.68 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 53' ' ' LEU . 4.3 mm -92.93 132.35 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -93.25 120.45 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.8 p -130.54 148.55 52.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.39 -41.2 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -52.95 -65.3 0.58 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.72 -169.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -89.19 102.93 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -106.09 164.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.237 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.456 HG21 ' CB ' ' A' ' 40' ' ' ALA . 3.1 m -119.54 145.97 45.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 110.411 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 44' ' ' ILE . 1.1 tt -85.63 106.83 17.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.98 145.58 29.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.36 135.65 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -21.26 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.65 164.67 31.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 120.15 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.35 173.15 41.8 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mm -88.69 135.41 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.417 0.716 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' CB ' HG12 ' A' ' 83' ' ' VAL . . . -49.91 -66.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.211 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -148.99 173.2 13.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 65' ' ' VAL . 77.8 mt -120.25 85.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 25.0 t -39.87 -60.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -105.66 113.15 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.34 156.72 31.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.4 pt-20 -54.01 151.36 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.34 -11.46 58.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.44 132.64 35.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ASN . 9.3 mmtm -110.49 -177.39 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.0 m120 39.86 77.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mm -112.77 88.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -53.1 171.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 mt -80.52 153.97 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.66 42.1 72.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -122.97 129.46 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.5 mt -70.09 119.05 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 pt -111.44 -25.99 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.33 153.64 24.35 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -118.71 135.2 54.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 81' ' ' LEU . 25.0 mt -105.49 156.95 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG12 ' CB ' ' A' ' 62' ' ' ALA . 2.8 m -140.43 132.13 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.71 125.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.95 151.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.16 58.58 13.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.35 162.45 35.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -88.41 80.78 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 44.5 p-90 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -57.47 -59.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 128.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -123.28 113.73 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.0 p -104.93 138.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -171.03 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 97.15 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.77 113.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.58 86.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -168.76 140.78 2.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -109.58 158.29 18.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.87 -154.81 0.62 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.09 -58.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -135.01 136.46 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.87 165.52 34.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.596 1.185 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.87 114.65 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -87.09 125.16 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.5 mt -86.95 115.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.2 mt -111.33 135.55 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.451 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.5 tpp -49.28 123.79 13.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 156.21 43.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 p -91.06 57.12 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -42.32 -61.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.98 166.36 16.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -29.72 8.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' MET . 71.2 p -137.11 25.56 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.463 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.0 OUTLIER -36.83 141.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -33.53 4.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -173.33 123.41 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 -166.95 41.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -154.48 108.37 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.3 mt -69.73 110.83 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.46 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.457 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 17.7 ttpp -154.61 154.45 33.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -89.94 128.31 36.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.076 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 40' ' ' ALA . 26.8 mt -82.95 -17.16 44.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -123.71 171.76 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -123.81 175.84 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.32 126.07 30.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.286 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.5 -10.98 63.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.64 150.19 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -69.82 163.97 24.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 59' ' ' GLY . 24.8 t -141.87 145.12 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -131.55 133.4 45.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.58 129.39 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.93 -28.2 15.72 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.57 145.35 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -74.31 128.64 36.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.5 mt -90.79 -53.88 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.46 166.8 28.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.202 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -97.63 116.66 30.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mm -93.95 138.6 20.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.73 132.4 44.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 23.6 p -142.8 145.07 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -49.42 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -61.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.15 -170.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.4 p -91.4 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -96.99 168.0 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.446 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 3.0 m -127.29 145.19 50.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' N ' HG22 ' A' ' 52' ' ' THR . 0.4 OUTLIER -87.05 128.19 35.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.8 143.19 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.8 140.2 58.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -31.37 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -138.53 158.6 43.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.36 129.11 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.91 -168.02 33.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -110.67 137.19 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 88.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.38 -68.96 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.4 141.5 20.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 64.7 mt -92.14 85.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.87 -59.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.17 121.91 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.77 -177.86 6.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pt-20 -71.91 170.98 12.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 1.74 72.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.3 m -86.86 107.0 18.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' CD ' ' HB3' ' A' ' 23' ' ' ASN . 3.1 mmmt -90.97 174.99 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.5 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.451 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 5.2 mm -113.62 92.51 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -45.96 159.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 19' ' ' MET . 6.8 mt -78.64 157.29 28.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.74 93.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.6 m -114.1 138.08 50.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.68 117.9 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 pt -107.06 -17.93 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.8 154.84 12.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.5 150.9 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 0.825 . . . . 0.0 109.348 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.0 mt -114.91 149.38 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.3 m -133.69 130.78 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -42.19 123.76 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.97 125.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.24 -53.78 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.2 mt-10 -43.8 120.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.21 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 34.6 p-90 -76.9 -48.45 18.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -52.51 -65.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.48 -63.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.04 -62.82 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.89 108.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.2 175.04 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -53.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t -43.44 118.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.9 t -134.57 135.31 42.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t 52.09 98.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 t 59.54 92.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.16 152.32 23.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t 179.35 123.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 100.44 3.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.66 176.3 47.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 82' ' ' ILE . 6.0 mt -100.34 110.43 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 8.8 ptpt -84.69 126.03 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.43 ' N ' HD22 ' A' ' 78' ' ' LEU . 52.3 mt -91.06 109.77 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.38 140.93 36.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.427 ' CE ' HG23 ' A' ' 73' ' ' ILE . 44.2 tpp -53.32 112.98 4.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 166.43 29.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 p -91.32 57.23 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.0 mt -44.2 -47.99 9.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.2 OUTLIER -85.02 157.11 60.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -129.91 53.64 1.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.411 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.7 ttt -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -26.19 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -163.15 170.67 17.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.82 177.59 19.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 121.9 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.75 115.53 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.96 -59.3 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -151.19 137.8 18.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' HG21 ' A' ' 64' ' ' ILE . 30.0 m95 -78.31 121.4 24.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.8 mt -80.0 -5.33 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -129.29 157.45 41.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -114.06 169.04 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.3 126.34 29.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.3 -22.06 40.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.52 168.48 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.43 164.09 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.03 137.66 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -131.75 127.0 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.92 133.51 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.09 23.27 45.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.95 139.27 52.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -66.37 117.75 9.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 28' ' ' LEU . 15.5 mt -91.68 -53.72 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -152.79 175.95 12.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -104.34 117.1 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.356 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 53' ' ' LEU . 3.0 mm -93.77 131.63 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.93 130.83 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.6 p -141.01 144.78 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -38.47 54.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -63.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.9 -163.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -94.08 104.1 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -106.22 165.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 5.6 m -118.19 145.75 44.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -89.76 117.9 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 152.28 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.92 141.96 37.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -103.03 -7.58 21.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -151.61 163.45 39.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -102.7 132.41 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -175.2 -167.95 35.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.2 mm -110.74 134.21 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 88.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.49 ' O ' ' CE3' ' A' ' 89' ' ' TRP . . . -56.83 -69.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.86 143.64 32.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.569 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 65.7 mt -95.73 87.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -42.54 -59.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -107.98 118.44 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.87 -175.03 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.56 163.8 23.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.49 -19.15 41.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.15 176.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.78 160.38 33.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.147 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.5 67.8 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.427 HG23 ' CE ' ' A' ' 12' ' ' MET . 7.9 mm -111.15 84.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.445 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -53.04 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.98 153.21 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.43 32.12 58.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.5 m -115.5 134.18 55.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.7 mt -73.27 118.85 16.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.2 pt -106.84 -29.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.78 24.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.68 129.66 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 8' ' ' ILE . 5.9 mt -103.45 142.74 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -123.62 141.02 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mm-40 -48.02 121.14 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' GLU . 5.1 mt-10 -38.66 129.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.64 -56.7 0.51 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.56 118.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.99 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 15.3 p-90 -71.93 -53.29 13.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -94.87 93.34 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -41.11 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.2 m -92.01 152.67 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 t -144.9 -61.55 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.31 163.96 30.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.564 1.165 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.03 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.8 p -54.72 169.52 0.21 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.604 1.19 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.3 p -94.57 89.74 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -45.11 113.19 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -153.88 115.77 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.95 157.97 16.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.51 -61.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 110.07 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -133.06 154.97 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . 112.42 -177.44 18.49 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 mt -107.12 103.75 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 11' ' ' LEU . 11.3 pttt -77.0 114.25 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -86.0 105.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' CD1' ' HE3' ' A' ' 9' ' ' LYS . 32.6 mt -95.7 139.27 32.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.455 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.7 tpp -48.01 116.83 5.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 158.87 42.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -89.14 56.53 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 71.8 mt -41.02 -45.05 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -94.27 154.46 40.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.42 14.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.4 p -136.15 56.58 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 4.2 ttt -111.03 139.74 46.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -112.38 -20.49 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -179.56 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.03 -177.45 27.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -138.75 108.31 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.48 99.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -59.4 -64.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.3 ttpp -150.29 151.76 33.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.522 ' CD2' HD13 ' A' ' 64' ' ' ILE . 29.7 m95 -89.62 121.65 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 28.1 mt -80.22 -3.15 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -130.21 161.09 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -114.81 166.41 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.71 126.05 30.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.22 24.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.07 173.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.17 163.97 13.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' GLY . 18.6 t -142.21 141.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -130.05 137.0 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 130.39 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.93 32.79 9.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.65 141.04 48.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -67.06 117.77 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' LEU . 13.5 mt -91.08 -53.45 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -149.89 163.83 37.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -94.21 114.86 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.2 mm -92.96 142.55 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -101.92 134.76 44.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 3.1 p -142.13 145.27 34.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -36.7 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -68.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -166.61 -169.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.14 112.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.16 165.5 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 4.8 m -120.59 146.41 46.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.414 ' N ' HG21 ' A' ' 52' ' ' THR . 1.3 tt -94.02 110.06 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.6 150.79 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.69 39.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.5 -12.61 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -153.86 159.97 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.53 130.94 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.411 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -172.05 -167.95 32.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.5 mm -108.26 138.1 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.37 88.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 83' ' ' VAL . . . -51.93 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -152.95 142.94 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.522 HD13 ' CD2' ' A' ' 27' ' ' TRP . 64.1 mt -92.6 82.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 58.5 t -39.95 -59.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.8 t -101.24 109.69 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 166.44 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -60.13 173.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.349 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.71 61.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.4 p -79.55 171.63 14.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -163.91 145.57 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 2.4 t-20 80.28 49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.455 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 11.3 mm -89.46 89.8 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.95 163.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 19' ' ' MET . 4.4 mt -68.79 153.76 43.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.89 56.73 6.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.61 147.18 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.041 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' HG ' ' CD2' ' A' ' 11' ' ' LEU . 4.0 mt -80.77 112.53 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 pt -105.67 -32.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.47 154.3 25.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -119.25 150.03 40.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.477 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 12.5 mt -116.21 150.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 62' ' ' ALA . 16.6 m -127.33 130.31 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.99 127.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 133.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.02 -57.59 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.51 108.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.329 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -40.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 90' ' ' LYS . 45.7 p-90 -65.81 -52.16 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.494 ' HG3' ' CZ2' ' A' ' 89' ' ' TRP . 0.4 OUTLIER -50.85 164.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -41.58 131.99 2.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.8 p -92.48 150.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.42 88.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.71 -159.63 12.68 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.408 1.068 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 86.68 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.77 142.52 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.39 168.66 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.75 157.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 59.48 169.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.25 72.7 1.03 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -113.4 94.1 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 0.712 . . . . 0.0 109.985 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.97 175.05 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.36 -175.22 16.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.072 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -105.78 107.6 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 1.3 ptpp? -82.89 125.61 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 ' N ' HD22 ' A' ' 78' ' ' LEU . 8.9 mt -89.61 106.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.17 141.06 33.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.435 ' HE1' ' CG2' ' A' ' 73' ' ' ILE . 48.9 tpp -51.09 106.53 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 155.27 43.07 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.59 57.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 44' ' ' ILE . 13.4 mt -40.81 -34.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -127.05 152.76 76.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.511 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.4 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.542 1.812 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.511 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 66.07 24.93 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.443 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ttt -77.41 113.97 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.96 -32.37 57.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.54 -177.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -148.83 -166.56 13.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -148.2 109.4 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 104.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.6 -63.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 9.6 tttt -154.59 154.5 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -90.05 121.54 32.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 107.939 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -82.06 -10.65 59.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -124.62 157.05 36.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -112.79 166.98 10.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -73.1 124.89 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.35 -1.86 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 166.3 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.84 163.24 15.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 46.4 t -142.15 143.11 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -130.17 129.47 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.2 133.33 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.39 33.21 35.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.82 140.9 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -67.74 114.9 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -90.1 -50.41 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.2 p -157.11 171.17 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -105.18 116.91 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.455 HD11 ' CD1' ' A' ' 53' ' ' LEU . 4.1 mt -101.54 143.31 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' N ' HG21 ' A' ' 44' ' ' ILE . 1.2 mt-10 -91.13 137.06 32.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 71.6 p -144.58 144.65 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -46.29 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -49.24 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.49 -166.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -81.15 106.74 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 m -107.09 167.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 2.5 m -124.16 147.8 47.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -85.94 121.69 28.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.18 149.4 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.45 145.29 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.94 -18.34 17.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -148.29 163.44 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -95.19 130.28 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.95 -179.98 44.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mm -97.68 135.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 88.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' LEU . . . -50.7 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -146.88 173.83 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 64.1 mt -121.65 82.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ILE . 38.4 t -39.1 -60.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.18 118.84 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -81.07 -178.53 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.2 pt-20 -75.56 145.08 41.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.54 -3.06 46.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.589 1.181 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.3 m -85.24 123.89 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -105.94 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m120 41.58 72.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.435 ' CG2' ' HE1' ' A' ' 12' ' ' MET . 8.7 mm -110.79 89.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 157.87 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.42 159.56 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.96 46.03 92.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -125.17 128.43 48.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.7 mt -69.94 120.19 15.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 HD13 ' CD1' ' A' ' 53' ' ' LEU . 31.6 pt -111.16 -28.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.31 153.69 24.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.45 134.84 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 81' ' ' LEU . 21.4 mt -106.46 153.59 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 m -140.85 131.53 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -38.76 123.2 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.82 129.09 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.06 -56.59 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.6 mt-10 -40.37 125.61 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -56.72 88.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.584 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 33.2 p-90 -56.0 -55.38 33.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 108.027 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.584 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -43.49 136.01 3.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.1 t 61.01 112.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.3 p -136.53 172.5 12.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.33 178.59 43.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 179.81 5.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.385 1.729 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.4 t -113.95 82.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -157.01 155.77 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 63.58 165.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -141.4 103.37 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 95.38 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -124.39 -54.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.949 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -54.5 -62.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.932 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.83 -173.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.86 106.81 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 1.6 ptpp? -77.61 124.04 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.8 mt -85.49 98.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.2 mt -91.05 141.02 29.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.458 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.7 tpp -54.25 116.51 10.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 158.39 42.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.5 p -84.52 57.12 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' SER . 36.9 mt -40.34 -58.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.465 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -81.93 151.68 67.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.56 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -135.29 50.63 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.6 ttt -103.64 147.75 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.13 -27.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.237 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.51 167.34 27.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -131.52 -170.05 12.53 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.31 114.0 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.324 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.07 111.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.52 -57.03 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 12.3 ttpt -153.37 146.99 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.514 ' CE2' HG22 ' A' ' 64' ' ' ILE . 43.5 m95 -87.54 121.51 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.7 mt -77.28 -11.5 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -127.1 164.12 22.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.34 167.42 11.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -72.69 120.85 18.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.68 -11.99 38.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.75 156.06 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.08 166.62 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLY . 66.4 t -142.19 145.04 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -129.03 135.88 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.62 131.38 46.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.14 -39.21 2.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.52 142.03 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -69.99 138.88 52.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' LEU . 20.9 mt -102.36 -52.02 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -150.0 176.65 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -105.25 115.93 31.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.473 ' CD1' HD12 ' A' ' 53' ' ' LEU . 3.3 mm -92.98 131.37 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.98 134.98 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.2 p -144.22 153.15 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -42.79 -50.13 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.14 -170.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 p -81.63 102.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 44' ' ' ILE . 4.9 t -91.81 168.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 6.3 m -122.41 145.9 47.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -94.85 115.44 27.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.91 147.08 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -72.29 136.35 46.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -141.7 150.46 41.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.68 132.36 35.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.66 -169.26 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 19.7 mm -102.24 130.66 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 87.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HB1' ' CG2' ' A' ' 83' ' ' VAL . . . -54.88 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' CE ' HG21 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -142.93 171.86 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.514 HG22 ' CE2' ' A' ' 27' ' ' TRP . 70.4 mt -125.52 85.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 HG21 ' CE ' ' A' ' 63' ' ' LYS . 21.9 t -38.75 -59.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.09 120.71 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -87.52 179.64 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.227 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.7 pt-20 -74.37 142.85 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.13 -11.78 31.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 151.93 31.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CD ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -137.2 162.71 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.476 ' OD1' ' CD ' ' A' ' 71' ' ' LYS . 24.0 m120 59.24 72.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.458 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 5.3 mm -111.91 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 163.75 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' CD2' ' HE3' ' A' ' 19' ' ' MET . 11.6 mt -74.04 157.01 36.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.9 34.95 83.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.571 1.169 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 t -114.32 144.32 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.986 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.98 120.41 25.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -111.58 -29.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.2 153.42 24.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.6 137.29 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.418 ' N ' HD11 ' A' ' 81' ' ' LEU . 8.5 mt -114.38 150.75 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' HB1' ' A' ' 62' ' ' ALA . 5.6 m -141.05 130.78 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.78 115.7 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.99 131.27 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.05 -33.87 4.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 156.03 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 85.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.409 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 32.4 p-90 -71.18 -47.75 55.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -50.53 129.4 22.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 10.6 p-80 -58.01 121.87 11.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.635 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.97 121.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.5 p -111.81 97.66 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.622 1.201 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.12 177.08 41.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' SER . 18.1 Cg_endo -74.96 60.47 5.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t 66.66 -72.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' PRO . 9.7 m -46.28 155.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t 63.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -177.41 90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.04 112.2 4.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.19 -59.32 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -164.54 170.01 16.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.62 170.43 21.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 mt -103.38 110.44 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 12.7 ptpt -81.89 124.12 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.42 ' N ' HD23 ' A' ' 78' ' ' LEU . 6.0 mt -85.74 104.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.4 mt -98.71 137.99 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 35.4 tpp -49.81 117.92 7.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 171.86 17.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 58.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -41.27 -57.78 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.03 161.03 72.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.95 18.37 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.517 1.798 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -148.81 64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.472 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 3.6 ttt -109.23 141.93 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.7 -27.88 8.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.01 166.65 32.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.22 -165.92 10.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.18 110.21 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.16 112.96 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.2 -56.79 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 10.4 tttt -155.97 139.92 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.42 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.3 m95 -79.98 126.22 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -82.96 -5.03 58.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtm -131.54 157.35 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -113.57 162.8 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.93 115.6 8.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.79 -10.78 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 153.64 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.41 164.93 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.9 t -142.04 145.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -134.17 138.27 45.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 132.33 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 -38.16 3.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.68 136.64 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.813 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -65.3 134.47 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.9 mt -99.58 -53.91 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 p -151.14 171.36 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.326 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.96 114.99 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.472 ' CD1' HD12 ' A' ' 53' ' ' LEU . 3.3 mm -94.01 132.15 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.68 134.29 34.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 3.2 p -142.26 145.35 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -46.12 -51.47 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -44.07 -63.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -173.57 -167.25 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.25 121.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 m -120.5 160.8 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.471 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 20.9 m -117.55 142.5 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.472 HD12 ' CD1' ' A' ' 44' ' ' ILE . 1.1 tt -91.06 113.29 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.51 151.28 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.57 145.77 52.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -12.61 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.479 ' CG ' ' N ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -157.01 167.71 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -102.89 127.51 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.26 -171.24 38.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 14.7 mm -102.1 134.24 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.49 87.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.63 -68.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 1.4 pttt -144.18 172.51 12.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 81.7 mt -125.04 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 42.1 t -39.79 -58.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 t -114.02 125.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.87 175.63 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.1 pm0 -68.4 151.73 46.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.92 -11.76 64.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.38 130.91 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -109.28 178.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 46.18 78.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 9.5 mm -107.78 85.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' ILE . 4.8 mtt-85 -36.94 154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 19' ' ' MET . 5.0 mt -67.2 155.59 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.46 59.92 5.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.9 m -126.18 133.4 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 10' ' ' ILE . 1.2 mt -65.14 117.83 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 pt -111.41 -18.48 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.91 153.7 21.3 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.117 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.31 134.49 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.4 mt -110.18 150.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.79 130.52 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 6.8 mt-10 -43.51 112.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -39.22 137.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.51 16.75 23.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -117.53 167.22 11.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.01 58.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 11.2 p-90 -52.97 -49.59 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 3.5 tttt -48.08 118.39 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.98 110.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.7 t -70.05 103.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.3 p -147.44 144.82 28.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.05 156.3 51.48 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 57.3 4.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.4 t -92.03 120.19 32.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 110.089 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 t 42.34 89.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.034 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 64.1 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.13 144.33 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.13 165.5 36.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.47 161.24 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t 177.29 147.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.3 175.12 31.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.088 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.17 106.56 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 2.3 ptpp? -80.82 128.29 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.1 mt -88.88 113.19 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' CD2' ' HG3' ' A' ' 9' ' ' LYS . 3.6 mt -104.01 134.57 47.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 40.0 tpp -48.79 107.41 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.26 43.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 p -78.78 58.35 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -42.04 -32.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.415 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.6 m -123.02 152.01 62.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 109.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.5 Cg_endo -74.98 133.58 16.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.506 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 65.87 25.56 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.422 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.1 ttt -78.25 125.79 29.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.2 -30.71 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -164.35 -177.26 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.14 27.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -133.77 114.0 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.339 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.12 101.13 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.8 t -59.17 -64.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.0 ttpt -156.06 160.21 39.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.555 ' CZ2' HG21 ' A' ' 64' ' ' ILE . 48.3 m95 -96.24 125.26 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.8 mt -81.75 -16.58 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.67 153.07 39.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -105.94 164.84 11.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.26 117.2 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 114.24 -12.24 21.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 155.63 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -77.11 163.34 26.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 59' ' ' GLY . 23.6 t -141.8 148.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.358 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -128.57 158.89 37.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.52 141.43 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.76 41.85 95.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -127.82 139.58 52.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.58 120.65 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 28' ' ' LEU . 17.7 mt -95.77 -53.34 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.34 169.74 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.8 mt-10 -106.04 123.43 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' CD1' ' A' ' 53' ' ' LEU . 14.1 mt -111.98 144.04 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.419 ' N ' HG23 ' A' ' 44' ' ' ILE . 1.4 mt-10 -91.63 145.44 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 2.7 p -144.53 145.55 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.367 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -40.46 -40.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -74.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -162.69 -162.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.56 118.8 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -117.72 167.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 m -119.86 147.16 45.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.14 121.55 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -100.94 153.23 19.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.1 151.45 23.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -104.36 -24.25 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.74 164.03 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.24 126.89 40.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.7 -175.48 36.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.425 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -106.09 133.04 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 92.56 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.51 -67.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -141.59 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.555 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 84.0 mt -121.65 81.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' ILE . 40.5 t -39.42 -58.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.9 t -102.05 117.19 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.89 172.26 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pp20? -72.15 150.45 43.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.34 -13.89 51.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.89 173.57 12.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.25 162.86 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.45 63.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.0 mm -102.38 96.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -63.81 174.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.79 152.32 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.27 49.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -73.1 124.4 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.7 128.69 37.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.13 -31.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.94 24.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -115.6 130.21 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 83' ' ' VAL . 45.8 mt -99.96 150.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' N ' HG22 ' A' ' 82' ' ' ILE . 29.2 m -137.99 130.18 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 87' ' ' GLU . 1.1 mt-10 -41.55 124.09 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -38.58 115.21 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.85 3.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 5.6 mm-40 -139.51 48.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.46 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 14.8 p-90 -92.86 -48.11 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER -50.02 -69.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.1 t60 69.3 95.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.39 120.46 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.72 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.945 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.34 178.68 51.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.45 40.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.3 m -84.47 132.82 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.056 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.38 96.86 2.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -142.4 -58.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -154.01 149.52 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.42 119.69 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -114.24 -57.72 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.88 166.19 4.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.6 -177.14 18.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -113.23 110.16 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.237 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -83.65 123.44 29.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CD1' HG13 ' A' ' 82' ' ' ILE . 4.7 mt -90.46 114.79 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.31 140.84 39.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.452 ' CE ' HG22 ' A' ' 73' ' ' ILE . 44.8 tpp -49.42 115.87 5.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.11 162.37 36.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 110.937 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -88.63 58.18 4.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 mt -41.88 -60.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.32 156.51 85.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -137.43 52.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.7 ttt -98.99 143.4 29.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.86 -25.94 10.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -164.05 156.09 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -120.82 -168.58 13.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -153.91 110.8 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 mp -69.56 107.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.98 -59.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 15.3 tttt -154.2 142.49 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -81.99 125.57 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' LEU . 87.6 mt -86.73 2.3 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HG3' ' CD2' ' A' ' 41' ' ' LEU . 7.0 mmtm -135.99 159.92 40.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -117.08 159.11 23.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -70.06 122.87 20.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.76 -8.87 43.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.63 155.72 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 110.247 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.53 165.89 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 59' ' ' GLY . 58.8 t -141.95 149.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.6 m -129.97 142.59 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.3 39.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.72 -36.53 4.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.99 152.96 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 52' ' ' THR . . . -78.24 131.94 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.6 1.188 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' LEU . 11.5 mt -98.67 -56.06 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.14 167.64 27.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.372 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -97.99 116.05 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.451 ' CD1' HD12 ' A' ' 53' ' ' LEU . 3.4 mm -92.74 132.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.58 128.57 38.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.448 HG23 ' CG2' ' A' ' 51' ' ' VAL . 22.9 p -142.48 149.67 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -39.84 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -57.28 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 179.07 -171.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.7 p -85.68 106.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -110.99 163.82 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 4.8 m -119.16 144.53 46.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 44' ' ' ILE . 0.8 OUTLIER -86.61 110.1 19.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.86 151.16 24.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.61 137.3 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.0 m -92.96 -29.61 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -133.46 162.81 30.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.6 121.81 42.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -166.8 -176.01 37.45 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mm -96.68 134.59 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.31 88.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . . . -47.57 -65.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.33 179.49 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.8 mt -128.29 98.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 79' ' ' ILE . 38.2 t -55.83 -55.8 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.7 t -107.62 112.59 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.97 165.05 22.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.5 pt-20 -59.92 148.13 36.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.66 57.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -84.11 125.11 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -103.79 175.26 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.8 m120 43.88 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.452 HG22 ' CE ' ' A' ' 12' ' ' MET . 3.5 mm -120.98 86.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.61 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 mt -83.34 154.28 24.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.91 39.75 64.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.7 118.32 29.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.49 121.43 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' VAL . 40.1 pt -110.23 -25.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.52 153.93 17.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.79 157.54 22.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.489 HG21 ' N ' ' A' ' 83' ' ' VAL . 74.5 mt -123.55 144.46 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.489 ' N ' HG21 ' A' ' 82' ' ' ILE . 6.9 m -127.33 131.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mt-10 -44.26 125.69 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -38.68 139.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.21 -59.09 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.69 147.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -77.03 89.86 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.413 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 36.8 p-90 -57.22 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.035 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -57.13 127.99 34.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 111.31 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.556 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.87 87.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -46.88 139.01 5.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.905 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.13 46.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.015 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 74.91 3.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.565 1.824 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.71 117.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -67.57 -58.53 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -109.26 94.59 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 0.734 . . . . 0.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -169.87 101.9 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.087 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.11 156.96 22.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -144.45 156.85 44.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.62 101.18 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.82 -176.12 20.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -100.23 107.33 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 10.7 ptpt -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.44 ' CD1' HG13 ' A' ' 82' ' ' ILE . 60.2 mt -76.08 106.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 9' ' ' LYS . 12.0 mt -102.08 140.6 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.456 ' CE ' HG23 ' A' ' 73' ' ' ILE . 41.9 tpp -55.38 112.96 4.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.41 35.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -76.45 57.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -41.79 -51.38 4.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 157.22 56.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -140.9 58.92 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 4.0 ttt -110.49 143.94 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.84 -25.99 9.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.51 -178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.0 32.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -127.97 111.96 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -66.1 102.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . 16.9 t -62.34 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 6.7 ttpp -154.1 150.89 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 58.7 m95 -87.64 125.29 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 107.982 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.83 -4.47 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -130.72 159.56 36.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.37 161.17 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -70.24 109.77 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 122.73 -36.22 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.152 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.64 155.05 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -75.14 169.26 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 47.8 t -142.05 146.52 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -131.74 137.13 48.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 130.45 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.82 -38.33 3.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.87 142.13 58.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -66.26 141.19 58.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 35' ' ' VAL . 17.4 mt -105.5 -53.35 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -157.98 172.57 18.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.9 mt-10 -105.47 134.32 48.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 45' ' ' GLU . 31.9 mt -123.98 142.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' ND2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -90.23 140.39 29.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 22.0 p -144.38 152.83 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -45.12 -43.35 9.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -163.09 -168.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.61 102.05 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 m -101.64 164.87 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.402 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.461 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 23.2 m -118.06 145.22 44.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.86 114.82 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.21 135.57 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 141.99 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.66 -38.36 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -137.8 159.83 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.87 130.85 35.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -174.23 -175.86 42.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 2.4 mm -108.78 127.39 65.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 88.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 60' ' ' ILE . . . -52.81 -58.37 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.185 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.09 176.18 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.487 ' CG2' ' OE2' ' A' ' 67' ' ' GLU . 79.4 mt -129.04 82.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.7 t -39.34 -60.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.85 114.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 64' ' ' ILE . 19.7 mm-40 -79.17 -174.41 4.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.3 pt-20 -79.03 151.51 31.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.39 -19.59 52.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.56 158.74 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 -156.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 47.01 56.85 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 HG23 ' CE ' ' A' ' 12' ' ' MET . 4.5 mm -98.38 83.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -40.37 160.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 19' ' ' MET . 4.1 mt -66.07 149.11 50.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.68 54.49 13.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -113.31 147.49 37.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mt -77.81 118.45 20.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.23 -32.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.5 156.26 27.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.428 1.08 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -112.1 136.42 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 42.5 mt -110.89 146.18 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 82' ' ' ILE . 27.5 m -130.98 139.42 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.69 131.06 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -38.37 112.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.55 64.84 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.73 39.78 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 50.06 75.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.429 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 11.2 p-90 -83.96 -40.4 18.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 108.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.24 -72.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -124.66 91.79 3.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 0.0 109.565 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.39 158.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.64 121.61 2.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.87 157.51 35.71 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.438 1.086 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.5 p -95.8 103.54 15.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.6 m -74.84 161.86 29.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.61 -58.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -92.54 91.21 7.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.22 94.35 1.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m -112.93 112.81 24.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -179.05 116.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.86 -174.54 15.57 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.09 107.39 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.21 126.89 32.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 78' ' ' LEU . 14.4 mt -90.6 105.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.85 143.17 29.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.442 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.0 tpp -53.64 115.42 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.428 1.752 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 p -92.08 57.41 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -41.12 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.46 150.15 50.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.06 17.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.9 p -134.32 49.32 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.452 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -111.11 132.11 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -96.42 -28.25 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -159.78 169.77 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -135.41 175.96 20.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -135.28 110.73 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -64.52 102.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.56 -60.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -156.54 147.19 21.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -84.56 126.63 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 107.97 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' A' ' 40' ' ' ALA . 55.1 mt -86.82 -6.17 58.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.423 ' CB ' HD12 ' A' ' 61' ' ' LEU . 11.9 mmtm -128.63 157.81 40.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -112.33 163.23 14.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -71.56 118.29 14.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.54 30.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.58 163.78 27.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.07 163.85 17.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLY . 22.1 t -142.11 140.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -129.5 127.61 41.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.2 134.23 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.6 42.5 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -67.62 111.81 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 55' ' ' ALA . 18.0 mt -87.81 -54.55 4.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.4 p -155.77 168.1 28.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.84 128.62 53.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 45' ' ' GLU . 47.8 mt -115.92 141.93 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 3.7 mt-10 -84.05 138.55 33.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.419 ' CG2' HG21 ' A' ' 51' ' ' VAL . 4.6 p -144.34 147.87 34.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.398 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -44.34 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -59.69 -68.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.05 -167.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.4 p -85.48 96.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.419 HG21 ' CG2' ' A' ' 46' ' ' THR . 2.6 t -90.12 168.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.473 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 9.7 m -118.61 144.88 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' N ' HG22 ' A' ' 52' ' ' THR . 0.9 OUTLIER -87.98 110.64 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -86.6 149.73 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 41' ' ' LEU . . . -83.03 139.78 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -22.4 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.58 166.72 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.09 126.97 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.39 -172.65 35.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.8 mm -103.42 133.83 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.364 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD12 ' CB ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -64.68 88.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 81' ' ' LEU . . . -52.38 -63.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.201 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.3 pttt -150.23 174.34 12.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 58.1 mt -123.45 86.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG22 ' CE ' ' A' ' 63' ' ' LYS . 47.3 t -39.61 -54.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.8 t -114.78 116.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.29 -175.34 3.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -82.56 146.58 29.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.71 -3.51 34.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m -86.62 155.82 20.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 164.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m120 58.56 64.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.442 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 8.2 mm -100.33 97.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -59.26 155.76 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.05 163.73 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.75 39.24 93.4 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -119.67 129.61 54.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.056 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 10' ' ' ILE . 1.2 mt -66.86 122.63 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.5 pt -110.68 -29.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.73 153.63 24.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -117.72 129.05 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.435 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 27.5 mt -100.18 153.38 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.6 m -135.07 132.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -38.34 126.41 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.92 123.16 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.62 -53.35 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.96 126.27 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.04 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 32.2 p-90 -59.75 -53.19 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -90.28 137.23 32.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.73 176.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.632 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t 62.65 124.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.7 p -139.15 163.12 33.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.7 157.12 27.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 100.08 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -129.43 166.97 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.022 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 t -98.36 153.53 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.953 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m -91.31 -57.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.95 162.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.02 172.77 36.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -79.38 99.12 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 0.707 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -115.0 155.3 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.31 -174.82 9.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.07 109.25 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -85.06 127.18 34.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.5 mt -91.0 104.86 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' CD2' ' HG ' ' A' ' 78' ' ' LEU . 23.5 mt -100.01 143.24 30.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.422 ' CE ' HG21 ' A' ' 73' ' ' ILE . 44.2 tpp -55.44 112.06 3.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 153.87 42.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.756 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -77.4 61.32 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -48.1 -58.0 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 156.42 85.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.88 12.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.84 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -145.66 56.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.77 136.4 45.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.53 -29.21 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -158.54 157.96 33.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -119.67 -163.54 12.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.171 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -157.73 109.59 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 mp -65.81 104.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.77 -58.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 30.1 ttpt -158.51 145.68 17.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.474 ' CZ2' HG22 ' A' ' 64' ' ' ILE . 60.0 m95 -82.97 129.37 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 107.929 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 34.5 mt -85.63 -8.44 58.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -127.16 164.1 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.39 119.86 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.513 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 108.89 -28.8 10.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 155.57 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HA ' ' CD1' ' A' ' 60' ' ' ILE . . . -79.71 167.39 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' GLY . 43.1 t -141.84 145.68 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.5 m -132.04 137.94 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 130.47 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.76 -29.91 11.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.87 150.61 46.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -74.81 138.92 42.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' LEU . 14.7 mt -103.65 -53.09 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 27' ' ' TRP . 24.4 p -158.18 175.64 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.339 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.55 136.84 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 53' ' ' LEU . 38.5 mt -123.24 145.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 44' ' ' ILE . 1.4 mt-10 -91.59 140.8 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 51' ' ' VAL . 6.4 p -144.82 153.74 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.24 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -64.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.57 -167.99 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -86.59 102.75 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 46' ' ' THR . 2.5 m -103.13 155.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 53.5 m -108.51 140.66 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -84.88 124.25 31.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.83 145.88 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.418 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . . . -64.45 149.75 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -18.77 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.12 169.55 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 123.93 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.226 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.29 -170.03 33.34 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.54 131.17 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.28 91.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.73 141.58 24.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.172 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 57.2 mt -92.1 85.13 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 57.9 t -39.33 -59.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.2 t -107.31 110.5 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.73 -177.7 5.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -76.55 160.13 29.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.45 80.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 m -90.07 124.93 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -102.83 172.69 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 49.94 81.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 HG21 ' CE ' ' A' ' 12' ' ' MET . 4.4 mm -117.62 88.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -51.83 169.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.89 162.6 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.98 35.29 82.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.177 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -111.71 122.34 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.462 ' HG ' ' CD2' ' A' ' 11' ' ' LEU . 1.4 mt -64.16 119.21 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 pt -107.41 -28.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.77 154.02 24.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 ' CD1' ' O ' ' A' ' 82' ' ' ILE . 0.3 OUTLIER -116.53 130.1 56.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 11.2 mt -98.68 151.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 5.9 m -139.47 135.49 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.2 mt-10 -38.95 122.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -38.77 99.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 97.92 56.5 1.07 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -144.32 65.14 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 40.32 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.513 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 21.1 p-90 -89.97 -44.42 9.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 150.5 44.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -117.8 -58.45 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.07 -64.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -84.65 168.7 15.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 137.27 172.14 12.43 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.8 29.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.66 92.77 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.96 154.93 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.051 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.092 . . . . 0.0 110.96 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -178.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.89 -56.57 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.6 4.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.21 -61.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -145.9 -58.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.89 174.01 34.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 mt -102.16 109.41 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 17.7 ptpt -81.9 124.92 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 HG23 ' CG1' ' A' ' 79' ' ' ILE . 5.6 mt -87.31 103.11 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.25 141.29 30.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE1' ' CG2' ' A' ' 73' ' ' ILE . 39.8 tpp -56.3 115.95 11.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 159.09 41.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -85.93 57.57 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.4 mt -42.32 -51.52 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.36 163.96 40.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.71 7.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.449 1.762 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.7 p -138.86 63.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.497 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 1.2 ttt -108.03 131.74 54.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -24.94 13.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -162.5 154.08 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -122.3 -165.74 12.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -152.65 112.69 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.9 110.75 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.211 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.7 -59.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.1 ttpp -151.92 147.74 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.402 ' CZ2' HG21 ' A' ' 64' ' ' ILE . 51.4 m95 -87.22 121.96 30.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' CB ' ' A' ' 40' ' ' ALA . 56.9 mt -76.81 -16.64 59.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -123.49 160.29 27.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -116.23 169.92 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.6 115.54 12.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 118.56 -40.37 2.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.27 158.66 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.41 165.4 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 21.4 t -141.86 144.1 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -125.42 161.27 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.934 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 132.36 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.87 -36.23 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.11 141.72 49.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 52' ' ' THR . . . -68.63 141.44 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.08 -54.21 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -151.62 175.73 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 108.345 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -104.53 116.34 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.473 ' CD1' HD11 ' A' ' 53' ' ' LEU . 3.2 mm -93.29 135.91 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -98.29 131.13 44.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -138.23 147.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.09 -47.5 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -66.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.97 -170.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.57 124.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.27 159.21 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' A' ' 40' ' ' ALA . 53.2 m -116.25 140.32 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.6 122.72 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -98.89 152.68 19.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.4 142.29 39.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 t -96.67 -27.33 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -138.75 155.66 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.46 131.35 34.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -173.52 -178.61 43.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.3 mm -103.13 133.17 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.49 88.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.44 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.23 142.01 26.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.402 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 67.8 mt -93.61 87.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.21 -58.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.66 122.72 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.89 -179.37 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pt-20 -71.39 165.82 22.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.39 11.64 79.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -94.04 107.89 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.72 159.97 15.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.33 77.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 ' CG2' ' HE1' ' A' ' 12' ' ' MET . 11.1 mm -110.33 90.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ILE . 6.7 mtt180 -37.83 156.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 19' ' ' MET . 4.8 mt -67.7 156.92 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.48 51.6 3.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.7 m -111.81 138.02 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 10' ' ' ILE . 1.7 mt -68.6 117.69 10.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG1' HG23 ' A' ' 10' ' ' ILE . 35.4 pt -108.53 -25.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.23 153.92 24.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.95 129.05 55.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.454 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 10.2 mt -102.59 151.91 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.0 m -135.77 139.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.32 125.24 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.4 107.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 58.8 1.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -146.99 58.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 42.06 79.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.554 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 50.7 p-90 -85.09 -54.0 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 3.9 tttt -61.15 110.94 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.7 -61.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.79 126.39 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 m 65.74 100.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.61 -155.15 7.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.2 p -135.01 119.29 17.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.5 p -67.77 117.84 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -138.03 -57.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.46 153.06 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.59 174.97 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -156.73 -64.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -174.69 167.04 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.38 161.41 13.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' ILE . 5.5 mt -94.14 110.06 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HA ' ' CD2' ' A' ' 81' ' ' LEU . 3.0 ptpp? -73.02 128.69 36.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -83.01 109.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.1 mt -107.89 136.65 47.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.5 tpp -50.53 106.1 0.6 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.54 40.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -77.35 59.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 44' ' ' ILE . 81.4 mt -46.51 -29.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.3 m -124.54 156.63 67.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 143.58 28.94 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p 52.2 25.41 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.405 ' O ' ' CG ' ' A' ' 19' ' ' MET . 2.9 ttt -72.98 105.64 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.21 -32.14 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -177.39 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -149.7 -164.94 12.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.66 122.72 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 mt -77.37 106.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.92 -61.91 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 18.2 ttpt -152.11 159.41 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -96.44 123.14 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.9 mt -78.54 -18.31 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -118.52 168.42 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -118.78 172.39 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -75.38 124.79 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.3 -13.06 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.118 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.01 160.35 31.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.07 166.5 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB1' ' A' ' 55' ' ' ALA . 59.4 t -141.95 142.09 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.1 m -131.97 141.94 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.67 129.65 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 -40.84 2.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.46 146.11 36.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 135.26 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' LEU . 26.4 mt -99.52 -53.26 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 p -151.17 170.17 20.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -98.53 114.66 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.47 ' CD1' HD11 ' A' ' 53' ' ' LEU . 2.7 mm -94.56 133.16 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 68.1 p -144.12 144.21 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.43 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.24 -41.44 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.45 -68.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -164.25 -169.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -86.37 107.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.55 166.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 53' ' ' LEU . 5.2 m -123.72 144.7 49.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 44' ' ' ILE . 0.7 OUTLIER -84.99 118.69 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.15 138.96 37.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -62.72 139.63 58.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -96.69 -18.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -149.68 162.43 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.08 127.06 36.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.85 -178.54 41.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mm -103.84 132.89 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.276 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 88.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . . . -50.32 -56.44 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -157.16 172.6 18.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.415 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 80.2 mt -122.07 83.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.6 t -40.17 -60.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.34 123.21 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.45 -179.18 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pp20? -75.98 145.21 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.14 -18.38 18.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.67 164.88 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.984 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 153.25 41.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.39 72.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.403 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 8.6 mm -108.9 88.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 168.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.94 159.43 33.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 41.38 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -114.41 133.63 55.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.32 106.6 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.4 pt -106.73 -11.41 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.21 14.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -116.47 139.19 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.739 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' CG2' ' HA3' ' A' ' 59' ' ' GLY . 32.9 mt -111.31 144.86 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 62' ' ' ALA . 35.8 m -133.22 130.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -39.21 127.31 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.02 125.0 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . 110.89 -53.7 0.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.6 mm-40 -38.72 125.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.9 p-90 -67.43 -50.55 58.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -53.78 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.99 134.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.3 m -140.13 -52.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -60.43 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.1 -179.04 27.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.51 29.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 t -80.47 100.19 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -41.03 157.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -112.63 112.58 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.807 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.8 ptpt -82.87 128.87 34.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 82' ' ' ILE . 14.7 mt -94.92 115.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 10' ' ' ILE . 13.1 mt -110.02 139.24 45.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 46.4 tpp -47.45 114.36 3.03 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.831 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.96 160.53 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.66 56.7 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 44' ' ' ILE . 54.8 mt -41.97 -52.33 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.32 60.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.07 8.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 p -138.55 58.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.431 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.6 ttt -106.16 136.84 45.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.09 -27.99 13.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -160.27 170.08 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -132.54 -169.25 12.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.72 110.6 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -69.65 107.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.3 -59.89 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -156.08 140.23 16.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -76.77 133.09 39.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD12 ' HB1' ' A' ' 40' ' ' ALA . 44.4 mt -91.17 -6.66 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HG3' HD23 ' A' ' 41' ' ' LEU . 16.8 mmtt -131.7 160.22 36.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -116.41 164.1 15.05 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -69.8 120.83 16.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.64 -14.78 35.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.66 156.06 27.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.22 164.81 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t -142.03 144.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.52 130.09 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.6 -40.29 2.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.83 153.49 13.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -81.32 132.83 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -98.1 -55.71 2.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 p -151.81 166.8 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.233 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.95 114.89 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.811 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -93.17 126.92 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.77 134.51 33.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.238 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -144.27 150.58 38.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -43.2 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -59.67 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.82 -173.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.6 p -87.28 105.71 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.1 157.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB1' ' A' ' 40' ' ' ALA . 7.5 m -113.58 148.69 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.831 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -91.15 110.88 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -88.91 149.45 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.1 133.9 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -89.82 -22.72 21.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.36 167.37 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.55 125.29 49.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.97 -179.16 41.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.502 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.2 mm -96.99 134.22 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.248 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 88.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.91 -65.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -152.6 176.76 11.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 74.5 mt -126.44 106.64 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 68.0 t -66.62 -52.16 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.065 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 73' ' ' ILE . 90.8 t -107.04 111.21 34.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.56 165.72 20.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -64.04 148.24 50.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -17.57 33.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -71.49 144.6 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.18 153.24 43.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.01 74.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 70' ' ' SER . 3.9 mm -109.25 88.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -50.51 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 19' ' ' MET . 8.0 mt -80.36 156.7 26.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.78 40.41 75.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -120.77 128.87 53.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.797 . . . . 0.0 109.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.9 mt -71.14 120.44 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.1 pt -110.77 -19.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 10' ' ' ILE . . . 177.52 156.91 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.42 157.47 23.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 10' ' ' ILE . 28.3 mt -118.75 153.47 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.1 m -135.78 133.78 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 2.4 mt-10 -47.17 125.54 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -38.72 127.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.16 -56.2 0.47 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.92 137.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.61 89.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.006 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 mt -106.44 104.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.879 ' HB2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -79.06 118.68 21.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HG13 ' A' ' 82' ' ' ILE . 11.9 mt -89.84 118.61 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD11 ' HE2' ' A' ' 9' ' ' LYS . 20.1 mt -111.3 138.27 47.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 44' ' ' ILE . 46.0 tpp -48.65 111.19 1.74 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 150.68 38.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 57.27 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.37 -55.67 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.9 159.01 79.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -134.57 54.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 46' ' ' THR . 4.2 ttt -103.59 122.01 44.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -27.99 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 2.4 pt-20 -164.92 175.9 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.06 171.82 24.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.21 20.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -72.78 103.72 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.68 -64.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 5.2 ttpt -151.97 151.84 31.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.8 120.68 29.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.014 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -76.26 -9.45 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HG3' HD23 ' A' ' 41' ' ' LEU . 4.9 mttm -125.69 157.7 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -111.6 160.1 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.92 117.3 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.54 -28.77 8.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.72 161.77 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 0.816 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.11 168.37 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.88 141.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -129.83 123.39 30.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . . . -39.44 135.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 32.31 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.53 142.62 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.708 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.09 121.33 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 29' ' ' LYS . 12.1 mt -97.32 -55.95 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.16 170.89 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -100.7 117.87 35.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -96.51 137.3 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.35 131.72 37.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.556 HG22 ' SD ' ' A' ' 19' ' ' MET . 2.5 p -138.33 158.93 43.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -25.24 65.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -67.37 -56.77 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . -179.71 -169.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.9 p -82.19 108.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.5 166.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 m -122.08 145.63 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.842 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.35 119.38 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.27 151.86 19.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.68 158.85 31.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -24.82 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.75 166.4 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.26 123.93 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.11 -167.55 29.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -108.41 138.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.512 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -65.98 90.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.92 142.36 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG13 HD22 ' A' ' 61' ' ' LEU . 59.7 mt -92.29 85.43 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -40.32 -59.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.06 106.37 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -74.67 165.81 24.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.7 pt-20 -57.83 167.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.51 -7.96 73.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.553 ' HB2' HD11 ' A' ' 73' ' ' ILE . 83.9 p -71.96 165.51 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.98 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 160.64 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.89 52.95 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 70' ' ' SER . 10.9 mm -94.8 84.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 14.5 ptt180 -53.39 178.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.9 mt -84.36 149.98 25.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.36 42.43 49.37 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 79' ' ' ILE . 1.4 m -123.86 119.96 31.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.2 mt -62.74 115.45 4.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 77' ' ' SER . 13.7 pt -104.49 -34.09 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -166.22 154.12 24.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.068 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -115.73 156.24 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.733 HG13 HD11 ' A' ' 10' ' ' ILE . 10.7 mt -122.82 140.88 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 62' ' ' ALA . 21.0 m -122.54 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.2 mt-10 -39.0 123.94 1.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 2.6 mt-10 -38.32 140.56 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.39 -57.9 1.0 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 127.67 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.46 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -96.23 108.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.232 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.886 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.87 132.53 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' HD23 ' A' ' 78' ' ' LEU . 62.2 mt -92.31 111.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.1 mt -108.38 140.37 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.407 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.9 tpp -53.32 110.99 2.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.698 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 159.41 41.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -82.31 59.57 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.935 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 44' ' ' ILE . 15.8 mt -44.4 -53.49 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -78.47 170.26 17.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -136.5 61.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.761 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -90.99 153.23 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -113.37 -15.29 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -173.35 178.1 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . . . -138.13 -168.35 11.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -157.0 108.65 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.68 111.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.23 -52.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.4 tttt -160.12 153.81 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.722 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 49.8 m95 -92.9 127.76 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 31.1 mt -83.37 -14.53 52.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.6 mmtt -122.38 159.77 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -112.99 171.29 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -74.2 125.68 28.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 99.45 -13.54 61.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.05 157.38 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 0.792 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -80.81 166.56 20.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.634 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.5 t -141.84 148.25 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 5.0 m -132.77 138.38 47.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.83 129.79 43.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.17 -28.18 16.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.66 148.8 36.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -76.59 133.44 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.731 HD23 ' HG3' ' A' ' 29' ' ' LYS . 18.4 mt -96.97 -53.18 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.7 p -149.79 167.74 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -96.36 118.22 32.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -95.77 130.29 44.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 3.4 tt0 -93.91 134.12 36.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -141.98 145.58 34.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -46.91 -40.29 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -69.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.54 -169.14 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -88.48 100.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.56 155.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.571 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 9.1 m -113.4 144.47 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.452 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.18 123.66 34.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.45 144.19 31.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.9 150.9 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -22.39 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -147.17 143.24 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 124.91 28.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.05 -176.58 39.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' ALA . 5.3 mm -99.21 135.25 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 0.725 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -68.2 89.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.92 -67.63 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -149.96 142.19 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 66.0 mt -93.84 84.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' ILE . 46.6 t -40.18 -59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 24' ' ' ILE . 53.2 t -101.03 115.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.61 172.38 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.36 138.29 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.72 -2.26 15.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -88.02 157.07 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 145.57 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 71.78 79.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.6 mm -115.41 96.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.98 176.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 19' ' ' MET . 4.3 mt -86.11 153.53 22.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.88 31.22 64.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -113.72 124.67 52.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 0.816 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -67.09 118.61 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -107.58 -26.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.38 153.85 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.886 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -118.5 134.73 54.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.76 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.6 mt -105.81 150.63 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.35 143.14 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . 3.2 mt-10 -48.18 124.31 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.46 144.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.92 64.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.68 162.51 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -70.07 74.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 43.5 p-90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 108.031 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 82' ' ' ILE . 7.3 mt -103.32 107.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.3 ptpt -80.2 126.27 30.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.933 HD11 HG13 ' A' ' 82' ' ' ILE . 6.8 mt -87.6 106.88 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.0 mt -101.69 143.54 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.453 ' SD ' HD12 ' A' ' 44' ' ' ILE . 41.5 tpp -54.47 112.67 4.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.686 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.02 155.34 42.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 p -79.91 58.98 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 44' ' ' ILE . 7.4 mt -43.63 -45.91 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -90.27 157.7 44.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -75.02 -19.89 17.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.422 1.749 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 17' ' ' PRO . 80.9 p -152.68 66.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.57 ' SD ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -115.56 120.8 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -34.68 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -161.61 170.85 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.447 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -135.34 -160.78 9.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 1.4 m-80 -159.6 115.66 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.81 113.96 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 t -71.41 -58.35 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 14.0 ttpt -155.45 146.13 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.6 m95 -84.13 125.79 32.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 40' ' ' ALA . 32.4 mt -81.43 -18.18 46.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HG3' HD23 ' A' ' 41' ' ' LEU . 9.6 mmtt -119.51 162.48 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -113.12 173.17 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG3' HD12 ' A' ' 64' ' ' ILE . 58.4 mt-10 -78.07 128.37 33.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.42 -9.35 64.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.24 156.37 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -76.62 166.69 23.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.798 HG13 HD21 ' A' ' 41' ' ' LEU . 44.6 t -141.92 144.1 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.27 140.95 49.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.34 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.92 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.39 1.056 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.11 144.16 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -75.1 137.84 41.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD21 HG13 ' A' ' 35' ' ' VAL . 26.2 mt -102.26 -53.8 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -149.36 173.66 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -104.7 121.88 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.906 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -98.18 145.84 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.52 131.88 46.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' SD ' ' A' ' 19' ' ' MET . 6.4 p -138.38 145.91 41.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -34.67 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -66.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.0 -167.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -82.93 114.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.92 165.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 29.2 m -122.17 141.4 51.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.906 HD12 HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -86.66 115.7 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -94.09 148.1 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.16 141.52 49.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.06 -32.35 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.84 165.02 26.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.99 122.0 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.35 -179.11 40.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.7 mm -94.76 136.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 88.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.56 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -154.3 174.87 14.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 64' ' ' ILE . 63.7 mt -121.27 81.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.5 t -38.05 -57.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -111.92 118.79 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.11 -178.73 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 24' ' ' ILE . 2.3 pt-20 -70.45 164.07 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.33 -1.91 73.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' HD11 ' A' ' 73' ' ' ILE . 54.8 m -75.06 113.01 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.82 168.62 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 48.76 72.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.1 mm -108.47 87.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -56.82 167.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' MET . 11.5 mt -75.91 157.52 33.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.81 34.93 90.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -112.89 128.94 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.777 . . . . 0.0 109.972 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -71.05 117.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.6 pt -110.97 -23.67 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.773 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -163.24 153.78 24.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -119.12 128.63 54.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.933 HG13 HD11 ' A' ' 10' ' ' ILE . 7.9 mt -100.61 153.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.6 m -139.51 131.46 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -38.67 122.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -42.45 123.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.76 -57.95 0.5 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.0 tt0 -40.51 132.08 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -61.21 83.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.4 p-90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 108.013 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.0 mt -95.4 110.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.993 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.5 ptmt -84.0 113.81 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 82' ' ' ILE . 10.8 mt -74.57 121.18 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' HE2' ' A' ' 9' ' ' LYS . 46.8 mt -115.28 139.24 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.1 tpp -49.89 112.36 2.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.863 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 154.38 42.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 56.98 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 44' ' ' ILE . 70.7 mt -40.7 -43.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -102.6 150.35 37.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.86 21.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -139.2 52.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.9 ttt -112.94 116.88 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.88 -30.12 40.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 7.7 pt-20 -162.76 173.69 13.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -139.8 -173.98 13.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.591 1.182 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.481 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.87 119.47 6.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.03 114.73 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.36 -58.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 16.2 ttpp -152.12 143.85 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 40.7 m95 -84.31 126.34 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.045 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -84.43 -12.75 53.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.6 mmtt -123.78 161.64 24.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.94 165.96 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD12 ' A' ' 64' ' ' ILE . 49.3 mt-10 -73.3 117.52 15.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.36 -20.62 23.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.92 160.56 32.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -84.15 166.93 17.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.581 ' CG1' HD21 ' A' ' 41' ' ' LEU . 59.2 t -142.05 148.19 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -133.76 141.19 47.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.98 131.64 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.05 -33.43 5.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.0 149.86 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -79.35 143.24 35.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 29' ' ' LYS . 24.5 mt -107.84 -52.66 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 p -154.72 174.37 15.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.86 123.29 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -98.47 141.09 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 7.7 p -140.84 144.89 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -53.54 -32.35 50.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -63.48 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -171.79 -167.86 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.2 p -88.42 112.96 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.42 161.45 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.482 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 15.7 m -115.69 143.95 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.863 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -86.78 113.12 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.93 144.67 25.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.46 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.78 -18.72 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -146.37 169.86 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.38 124.43 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.96 178.34 42.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.9 mm -96.06 133.77 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 88.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.63 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' CE ' HG22 ' A' ' 65' ' ' VAL . 21.4 pttt -149.1 175.18 11.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.6 HG21 ' OE2' ' A' ' 67' ' ' GLU . 64.8 mt -123.57 84.37 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 63' ' ' LYS . 33.4 t -39.89 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -108.8 116.0 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.6 ' OE2' HG21 ' A' ' 64' ' ' ILE . 13.3 mm-40 -78.97 177.63 8.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -68.54 163.9 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.207 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.07 -8.05 68.58 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 169.53 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 161.86 40.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.94 59.28 2.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.633 1.208 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.7 mm -104.41 86.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 12.7 mtp180 -55.25 177.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 19' ' ' MET . 6.6 mt -83.26 151.27 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.91 36.9 60.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.9 t -113.86 147.38 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 0.794 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.993 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.9 mt -84.15 116.21 22.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -111.08 -31.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.99 153.74 24.4 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.67 134.46 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.763 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.8 mt -104.09 154.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.8 m -139.82 134.05 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -44.92 122.52 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.78 124.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.55 -59.08 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -41.65 129.73 3.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.554 0.797 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.5 93.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 mt -103.64 108.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.911 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.4 pttt -81.66 120.42 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.598 ' O ' HD23 ' A' ' 78' ' ' LEU . 65.5 mt -87.34 116.82 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.391 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HE2' ' A' ' 9' ' ' LYS . 21.9 mt -110.3 144.5 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' HD12 ' A' ' 44' ' ' ILE . 49.0 tpp -53.06 113.46 4.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.9 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 162.22 37.54 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' LEU . 17.3 p -90.29 56.33 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . 86.8 mt -39.51 -55.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -82.46 151.77 66.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.97 21.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.6 p -146.5 56.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.484 ' CB ' ' HB2' ' A' ' 16' ' ' SER . 4.3 ttt -112.26 122.54 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.39 -26.32 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.56 173.49 9.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -145.22 174.79 25.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.39 124.68 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.31 103.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.89 -63.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 19.7 ttpt -150.05 156.82 42.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 37.7 m95 -92.33 122.76 35.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 107.966 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD12 ' HB1' ' A' ' 40' ' ' ALA . 82.1 mt -83.75 -2.15 55.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.5 mttm -134.43 159.08 42.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -115.25 159.74 20.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.9 mt-10 -67.9 124.54 23.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.44 -20.18 32.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.67 159.61 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.29 164.61 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 38.8 t -142.13 147.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.3 t -131.81 156.85 45.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.07 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.82 43.49 96.08 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.6 142.43 51.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.67 118.11 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD23 ' HG3' ' A' ' 29' ' ' LYS . 14.6 mt -98.29 -54.55 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 52' ' ' THR . 22.7 p -151.08 170.06 20.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.32 115.67 29.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.875 HD11 HD12 ' A' ' 53' ' ' LEU . 3.1 mm -92.85 138.47 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.68 130.52 43.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 p -138.96 143.97 38.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.344 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -35.93 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -66.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 -167.95 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.1 p -87.51 106.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -112.07 165.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 42' ' ' CYS . 22.4 m -121.3 146.68 46.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -85.04 130.63 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -107.45 151.65 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -83.74 144.15 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.16 -20.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -138.14 160.04 40.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 122.3 41.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.21 176.27 41.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -90.5 139.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -70.69 90.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -54.05 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.75 173.37 12.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.41 79.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 28.6 t -38.87 -60.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 78' ' ' LEU . 85.1 t -104.03 113.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.88 -177.41 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.3 pt-20 -79.25 168.47 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.64 86.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 170.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 143.15 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.39 75.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' GLY . 6.5 mm -114.09 86.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -51.52 168.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.38 156.57 35.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.35 40.79 69.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 m -123.65 128.57 49.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 2.8 mt -69.53 119.75 14.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.81 -26.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.76 153.68 24.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -120.42 131.87 54.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.5 mt -100.93 158.13 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.6 m -139.82 132.88 35.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.57 123.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 140.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.84 65.48 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.56 159.71 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.86 86.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.059 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -105.48 110.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.26 125.5 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 82' ' ' ILE . 4.9 mt -89.8 106.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' HD3' ' A' ' 9' ' ' LYS . 17.3 mt -101.15 143.5 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 tpp -53.19 112.41 3.58 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.757 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.14 152.98 40.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.52 57.37 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 44' ' ' ILE . 62.8 mt -42.34 -51.42 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.27 161.54 51.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -30.69 6.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.1 p -139.28 61.95 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 ttt -108.97 108.28 18.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.185 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.72 -29.62 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.04 166.99 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -127.24 -166.94 12.23 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.487 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -156.29 108.34 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.36 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 t -69.08 -60.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 24.7 tttp -152.11 153.4 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -92.71 123.49 36.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' A' ' 40' ' ' ALA . 40.1 mt -76.5 -22.59 54.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.1 mttt -114.17 166.32 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.6 163.7 16.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 64' ' ' ILE . 10.0 mt-10 -69.52 115.45 8.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.84 -16.68 20.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.511 1.132 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.76 163.89 26.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 0.776 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 165.95 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.595 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -142.02 143.97 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.6 m -131.14 135.87 47.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.31 30.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.59 -39.55 2.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.37 148.69 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -76.33 137.68 40.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.595 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.2 mt -102.31 -53.47 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 52' ' ' THR . 28.8 p -153.33 175.18 13.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 108.262 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -102.37 116.68 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.883 HD11 HD12 ' A' ' 53' ' ' LEU . 4.3 mm -92.93 132.35 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 4.0 tt0 -93.25 120.45 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 HG22 ' A' ' 51' ' ' VAL . 22.8 p -130.54 148.55 52.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.39 -41.2 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -52.95 -65.3 0.58 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.72 -169.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.6 p -89.19 102.93 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 46' ' ' THR . 6.4 m -106.09 164.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.634 HG21 ' HB1' ' A' ' 40' ' ' ALA . 3.1 m -119.54 145.97 45.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 110.411 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -85.63 106.83 17.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.98 145.58 29.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -70.36 135.65 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -21.26 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.65 164.67 31.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 120.15 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.35 173.15 41.8 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.3 mm -88.69 135.41 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.417 0.716 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -49.91 -66.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.211 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HZ1' HG22 ' A' ' 65' ' ' VAL . 5.2 pttp -148.99 173.2 13.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' ILE . 77.8 mt -120.25 85.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 78' ' ' LEU . 25.0 t -39.87 -60.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -105.66 113.15 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.34 156.72 31.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.4 pt-20 -54.01 151.36 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.34 -11.46 58.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -81.44 132.64 35.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ASN . 9.3 mmtm -110.49 -177.39 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.0 m120 39.86 77.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 70' ' ' SER . 6.7 mm -112.77 88.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -53.1 171.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 mt -80.52 153.97 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.66 42.1 72.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -122.97 129.46 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.5 mt -70.09 119.05 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 pt -111.44 -25.99 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.871 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.33 153.64 24.35 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -118.71 135.2 54.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.915 HG13 HD11 ' A' ' 10' ' ' ILE . 25.0 mt -105.49 156.95 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.8 m -140.43 132.13 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.71 125.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.95 151.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.16 58.58 13.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.35 162.45 35.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -88.41 80.78 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.408 ' HB3' HG21 ' A' ' 83' ' ' VAL . 44.5 p-90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.87 114.65 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.854 ' HB2' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -87.09 125.16 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG13 ' A' ' 82' ' ' ILE . 11.5 mt -86.95 115.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' HG ' ' A' ' 78' ' ' LEU . 16.2 mt -111.33 135.55 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.451 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.5 tpp -49.28 123.79 13.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.6 Cg_endo -74.94 156.21 43.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 p -91.06 57.12 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -42.32 -61.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.98 166.36 16.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -29.72 8.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' MET . 71.2 p -137.11 25.56 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -36.83 141.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -33.53 4.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -173.33 123.41 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 -166.95 41.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -154.48 108.37 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 68' ' ' GLU . 59.3 mt -69.73 110.83 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.46 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 17.7 ttpp -154.61 154.45 33.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.531 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 38.9 m95 -89.94 128.31 36.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.076 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 40' ' ' ALA . 26.8 mt -82.95 -17.16 44.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -123.71 171.76 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -123.81 175.84 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.32 126.07 30.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.286 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.5 -10.98 63.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.64 150.19 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.74 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -69.82 163.97 24.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 24.8 t -141.87 145.12 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -131.55 133.4 45.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.58 129.39 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.93 -28.2 15.72 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.57 145.35 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -74.31 128.64 36.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 22.5 mt -90.79 -53.88 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.46 166.8 28.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.202 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -97.63 116.66 30.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -93.95 138.6 20.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.73 132.4 44.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -142.8 145.07 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -49.42 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -61.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.15 -170.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.4 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -96.99 168.0 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.591 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 3.0 m -127.29 145.19 50.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -87.05 128.19 35.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.8 143.19 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.8 140.2 58.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -31.37 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -138.53 158.6 43.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.36 129.11 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.91 -168.02 33.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.74 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -110.67 137.19 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 88.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.38 -68.96 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.4 141.5 20.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.531 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 64.7 mt -92.14 85.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.87 -59.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.17 121.91 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.77 -177.86 6.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.8 pt-20 -71.91 170.98 12.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 1.74 72.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 73' ' ' ILE . 20.3 m -86.86 107.0 18.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' CD ' ' HB3' ' A' ' 23' ' ' ASN . 3.1 mmmt -90.97 174.99 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m120 42.5 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.2 mm -113.62 92.51 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -45.96 159.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.918 HD11 ' O ' ' A' ' 19' ' ' MET . 6.8 mt -78.64 157.29 28.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.74 93.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.6 m -114.1 138.08 50.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.854 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -76.68 117.9 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 pt -107.06 -17.93 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.8 154.84 12.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.5 150.9 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 0.825 . . . . 0.0 109.348 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.702 HG13 HD11 ' A' ' 10' ' ' ILE . 21.0 mt -114.91 149.38 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -133.69 130.78 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -42.19 123.76 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.97 125.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.24 -53.78 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.2 mt-10 -43.8 120.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.21 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' GLU . 34.6 p-90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.056 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 82' ' ' ILE . 6.0 mt -100.34 110.43 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.8 ptpt -84.69 126.03 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 82' ' ' ILE . 52.3 mt -91.06 109.77 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 9' ' ' LYS . 16.1 mt -103.38 140.93 36.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 44' ' ' ILE . 44.2 tpp -53.32 112.98 4.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.77 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 166.43 29.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 p -91.32 57.23 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 44' ' ' ILE . 74.0 mt -44.2 -47.99 9.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -85.02 157.11 60.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -129.91 53.64 1.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.7 ttt -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -26.19 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -163.15 170.67 17.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.82 177.59 19.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 121.9 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.75 115.53 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.96 -59.3 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -151.19 137.8 18.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.49 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 30.0 m95 -78.31 121.4 24.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.8 mt -80.0 -5.33 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -129.29 157.45 41.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -114.06 169.04 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.3 126.34 29.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.3 -22.06 40.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.52 168.48 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -91.43 164.09 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.516 ' CG1' HD21 ' A' ' 41' ' ' LEU . 19.9 t -142.03 137.66 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -131.75 127.0 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.92 133.51 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.09 23.27 45.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.95 139.27 52.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -66.37 117.75 9.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt -91.68 -53.72 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -152.79 175.95 12.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -104.34 117.1 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.356 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.856 HD11 HD12 ' A' ' 53' ' ' LEU . 3.0 mm -93.77 131.63 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.93 130.83 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.6 p -141.01 144.78 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -38.47 54.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -63.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.9 -163.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -94.08 104.1 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -106.22 165.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 m -118.19 145.75 44.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -89.76 117.9 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 152.28 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.92 141.96 37.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -103.03 -7.58 21.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -151.61 163.45 39.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 3.7 p-10 -102.7 132.41 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA3' HG23 ' A' ' 82' ' ' ILE . . . -175.2 -167.95 35.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.74 134.21 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 88.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.49 ' O ' ' CE3' ' A' ' 89' ' ' TRP . . . -56.83 -69.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.86 143.64 32.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.49 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 65.7 mt -95.73 87.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -42.54 -59.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -107.98 118.44 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.87 -175.03 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.56 163.8 23.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.49 -19.15 41.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.15 176.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.78 160.38 33.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.147 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.5 67.8 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.9 mm -111.15 84.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -53.04 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.98 153.21 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.43 32.12 58.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.5 m -115.5 134.18 55.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -73.27 118.85 16.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.2 pt -106.84 -29.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.78 24.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.68 129.66 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.629 ' N ' HD13 ' A' ' 81' ' ' LEU . 5.9 mt -103.45 142.74 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -123.62 141.02 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mm-40 -48.02 121.14 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' GLU . 5.1 mt-10 -38.66 129.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.64 -56.7 0.51 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.56 118.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.99 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.49 ' CE3' ' O ' ' A' ' 62' ' ' ALA . 15.3 p-90 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.433 ' HA3' HD21 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.528 0.897 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 HG22 ' A' ' 82' ' ' ILE . 14.5 mt -107.12 103.75 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HB2' HD21 ' A' ' 78' ' ' LEU . 11.3 pttt -77.0 114.25 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 82' ' ' ILE . 4.6 mt -86.0 105.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.824 HD11 ' HE3' ' A' ' 9' ' ' LYS . 32.6 mt -95.7 139.27 32.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.7 tpp -48.01 116.83 5.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.97 158.87 42.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -89.14 56.53 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 51' ' ' VAL . 71.8 mt -41.02 -45.05 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.27 154.46 40.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.42 14.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.4 p -136.15 56.58 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.2 ttt -111.03 139.74 46.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -112.38 -20.49 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -179.56 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.03 -177.45 27.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -138.75 108.31 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.48 99.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -59.4 -64.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.3 ttpp -150.29 151.76 33.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 29.7 m95 -89.62 121.65 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 ' HB1' ' A' ' 40' ' ' ALA . 28.1 mt -80.22 -3.15 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.785 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.8 mmtt -130.21 161.09 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -114.81 166.41 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.71 126.05 30.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.22 24.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.07 173.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -94.17 163.97 13.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.626 ' CG1' HD21 ' A' ' 41' ' ' LEU . 18.6 t -142.21 141.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -130.05 137.0 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 130.39 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.93 32.79 9.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.65 141.04 48.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.06 117.77 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -91.08 -53.45 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -149.89 163.83 37.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -94.21 114.86 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -92.96 142.55 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -101.92 134.76 44.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p -142.13 145.27 34.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -36.7 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -68.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.61 -169.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.6 p -84.14 112.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 15' ' ' LEU . 9.2 m -112.16 165.5 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.52 HG21 ' CB ' ' A' ' 40' ' ' ALA . 4.8 m -120.59 146.41 46.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.776 HD12 HD11 ' A' ' 44' ' ' ILE . 1.3 tt -94.02 110.06 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.6 150.79 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.69 39.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.5 -12.61 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -153.86 159.97 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.53 130.94 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.411 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -172.05 -167.95 32.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.5 mm -108.26 138.1 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -68.37 88.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.93 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -152.95 142.94 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -92.6 82.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 58.5 t -39.95 -59.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 73' ' ' ILE . 73.8 t -101.24 109.69 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 166.44 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -60.13 173.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.349 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.71 61.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.4 p -79.55 171.63 14.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -163.91 145.57 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 2.4 t-20 80.28 49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 66' ' ' VAL . 11.3 mm -89.46 89.8 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.95 163.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 19' ' ' MET . 4.4 mt -68.79 153.76 43.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.89 56.73 6.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.61 147.18 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.041 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.884 HD21 ' HB2' ' A' ' 9' ' ' LYS . 4.0 mt -80.77 112.53 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 pt -105.67 -32.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -164.47 154.3 25.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.433 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -119.25 150.03 40.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.665 HG13 HD11 ' A' ' 10' ' ' ILE . 12.5 mt -116.21 150.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.655 HG13 ' HB2' ' A' ' 62' ' ' ALA . 16.6 m -127.33 130.31 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.99 127.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 133.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.02 -57.59 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.51 108.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.329 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -40.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.7 p-90 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -105.78 107.6 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.3 ptpp? -82.89 125.61 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 82' ' ' ILE . 8.9 mt -89.61 106.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.5 mt -100.17 141.06 33.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.443 ' HE3' ' HB ' ' A' ' 73' ' ' ILE . 48.9 tpp -51.09 106.53 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.603 ' CG ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 155.27 43.07 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.59 57.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 44' ' ' ILE . 13.4 mt -40.81 -34.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -127.05 152.76 76.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.724 ' C ' HG23 ' A' ' 18' ' ' THR . 18.4 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.542 1.812 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.724 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 66.07 24.93 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.443 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.962 ' HG2' HD21 ' A' ' 75' ' ' LEU . 3.5 ttt -77.41 113.97 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.96 -32.37 57.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.54 -177.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.553 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -148.83 -166.56 13.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.553 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -148.2 109.4 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -63.22 104.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.6 -63.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 9.6 tttt -154.59 154.5 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.1 m95 -90.05 121.54 32.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 107.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' ' 40' ' ' ALA . 19.5 mt -82.06 -10.65 59.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -124.62 157.05 36.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -112.79 166.98 10.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 64' ' ' ILE . 50.9 mt-10 -73.1 124.89 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.35 -1.86 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 166.3 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -88.84 163.24 15.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 46.4 t -142.15 143.11 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -130.17 129.47 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.2 133.33 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.39 33.21 35.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.82 140.9 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.74 114.9 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.9 mt -90.1 -50.41 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.2 p -157.11 171.17 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -105.18 116.91 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.719 HD12 HD11 ' A' ' 15' ' ' LEU . 4.1 mt -101.54 143.31 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.13 137.06 32.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 71.6 p -144.58 144.65 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -46.29 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -49.24 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.49 -166.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.8 p -81.15 106.74 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 46' ' ' THR . 12.9 m -107.09 167.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.473 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.5 m -124.16 147.8 47.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -85.94 121.69 28.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.18 149.4 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.45 145.29 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.94 -18.34 17.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -148.29 163.44 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -95.19 130.28 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.95 -179.98 44.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -97.68 135.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 88.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.7 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -146.88 173.83 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.65 82.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ILE . 38.4 t -39.1 -60.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.18 118.84 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -81.07 -178.53 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -75.56 145.08 41.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.54 -3.06 46.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.589 1.181 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.674 ' HB3' HD11 ' A' ' 73' ' ' ILE . 14.3 m -85.24 123.89 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -105.94 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m120 41.58 72.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.7 mm -110.79 89.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 157.87 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.962 HD21 ' HG2' ' A' ' 19' ' ' MET . 14.4 mt -64.42 159.56 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.96 46.03 92.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -125.17 128.43 48.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -69.94 120.19 15.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 pt -111.16 -28.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.672 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.31 153.69 24.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.45 134.84 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 10' ' ' ILE . 21.4 mt -106.46 153.59 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.6 m -140.85 131.53 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -38.76 123.2 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.82 129.09 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.06 -56.59 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.6 mt-10 -40.37 125.61 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -56.72 88.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' GLU . 33.2 p-90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 108.027 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.86 106.81 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.883 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.6 ptpp? -77.61 124.04 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 82' ' ' ILE . 63.8 mt -85.49 98.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.2 mt -91.05 141.02 29.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.7 tpp -54.25 116.51 10.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 158.39 42.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.5 p -84.52 57.12 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD12 HG21 ' A' ' 44' ' ' ILE . 36.9 mt -40.34 -58.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.466 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -81.93 151.68 67.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.56 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -135.29 50.63 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.6 ttt -103.64 147.75 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.13 -27.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.237 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -160.51 167.34 27.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -131.52 -170.05 12.53 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.509 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.31 114.0 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.324 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.07 111.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.52 -57.03 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 12.3 ttpt -153.37 146.99 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 43.5 m95 -87.54 121.51 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.7 mt -77.28 -11.5 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.8 mmtt -127.1 164.12 22.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.34 167.42 11.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HG3' HD12 ' A' ' 64' ' ' ILE . 56.4 mt-10 -72.69 120.85 18.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.68 -11.99 38.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.75 156.06 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.08 166.62 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.686 ' CG1' HD21 ' A' ' 41' ' ' LEU . 66.4 t -142.19 145.04 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 m -129.03 135.88 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.62 131.38 46.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.14 -39.21 2.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.52 142.03 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -69.99 138.88 52.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.686 HD21 ' CG1' ' A' ' 35' ' ' VAL . 20.9 mt -102.36 -52.02 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -150.0 176.65 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -105.25 115.93 31.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -92.98 131.37 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.98 134.98 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.2 p -144.22 153.15 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -42.79 -50.13 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.14 -170.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -81.63 102.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 52' ' ' THR . 4.9 t -91.81 168.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 6.3 m -122.41 145.9 47.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.881 HD12 HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -94.85 115.44 27.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.91 147.08 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.29 136.35 46.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -141.7 150.46 41.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -89.68 132.36 35.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.66 -169.26 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 34' ' ' ALA . 19.7 mm -102.24 130.66 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 87.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -54.88 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -142.93 171.86 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.654 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 70.4 mt -125.52 85.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 78' ' ' LEU . 21.9 t -38.75 -59.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.09 120.71 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -87.52 179.64 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.227 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.7 pt-20 -74.37 142.85 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.13 -11.78 31.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.527 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.71 151.93 31.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.028 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CD ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -137.2 162.71 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.476 ' OD1' ' CD ' ' A' ' 71' ' ' LYS . 24.0 m120 59.24 72.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.3 mm -111.91 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 163.75 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.04 157.01 36.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.9 34.95 83.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.571 1.169 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.1 t -114.32 144.32 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -81.98 120.41 25.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -111.58 -29.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.2 153.42 24.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.6 137.29 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.744 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 mt -114.38 150.75 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 62' ' ' ALA . 5.6 m -141.05 130.78 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.78 115.7 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HA ' ' CG1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -41.99 131.27 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.05 -33.87 4.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 156.03 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 85.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.422 ' CD1' HG21 ' A' ' 60' ' ' ILE . 32.4 p-90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.003 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.591 HD13 ' OD2' ' A' ' 57' ' ' ASP . 17.1 mt -103.38 110.44 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.855 ' HA ' HD22 ' A' ' 81' ' ' LEU . 12.7 ptpt -81.89 124.12 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 ' C ' ' A' ' 80' ' ' GLY . 6.0 mt -85.74 104.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 19.4 mt -98.71 137.99 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 35.4 tpp -49.81 117.92 7.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.748 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 171.86 17.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 58.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 44' ' ' ILE . 12.0 mt -41.27 -57.78 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.03 161.03 72.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.95 18.37 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.517 1.798 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -148.81 64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.6 ' O ' HD11 ' A' ' 75' ' ' LEU . 3.6 ttt -109.23 141.93 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.7 -27.88 8.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -155.01 166.65 32.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.22 -165.92 10.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.495 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.18 110.21 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -69.16 112.96 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.2 -56.79 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 10.4 tttt -155.97 139.92 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.442 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.3 m95 -79.98 126.22 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.4 mt -82.96 -5.03 58.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.2 mmtm -131.54 157.35 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -113.57 162.8 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.0 mt-10 -68.93 115.6 8.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.79 -10.78 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 153.64 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.41 164.93 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.629 ' CG1' HD21 ' A' ' 41' ' ' LEU . 44.9 t -142.04 145.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 16.3 m -134.17 138.27 45.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 132.33 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 -38.16 3.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.68 136.64 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.813 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -65.3 134.47 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.629 HD21 ' CG1' ' A' ' 35' ' ' VAL . 15.9 mt -99.58 -53.91 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 p -151.14 171.36 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.326 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.96 114.99 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -94.01 132.15 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.68 134.29 34.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 51' ' ' VAL . 3.2 p -142.26 145.35 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -46.12 -51.47 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -44.07 -63.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.57 -167.25 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.25 121.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 46' ' ' THR . 4.5 m -120.5 160.8 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.554 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 20.9 m -117.55 142.5 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -91.06 113.29 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.51 151.28 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -69.57 145.77 52.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -12.61 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.591 ' OD2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -157.01 167.71 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -102.89 127.51 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.26 -171.24 38.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 34' ' ' ALA . 14.7 mm -102.1 134.24 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.49 87.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -53.63 -68.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 1.4 pttt -144.18 172.51 12.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 81.7 mt -125.04 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 78' ' ' LEU . 42.1 t -39.79 -58.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 t -114.02 125.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.87 175.63 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -68.4 151.73 46.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.92 -11.76 64.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.424 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -81.38 130.91 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -109.28 178.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.5 m120 46.18 78.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 9.5 mm -107.78 85.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' ILE . 4.8 mtt-85 -36.94 154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 19' ' ' MET . 5.0 mt -67.2 155.59 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.46 59.92 5.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 79' ' ' ILE . 18.9 m -126.18 133.4 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -65.14 117.83 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' SER . 18.7 pt -111.41 -18.48 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.828 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -170.91 153.7 21.3 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.117 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.31 134.49 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.792 HG13 HD11 ' A' ' 10' ' ' ILE . 18.4 mt -110.18 150.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 62' ' ' ALA . 6.8 m -140.79 130.52 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 6.8 mt-10 -43.51 112.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -39.22 137.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.51 16.75 23.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -117.53 167.22 11.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.01 58.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.17 106.56 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.912 ' HA ' HD22 ' A' ' 81' ' ' LEU . 2.3 ptpp? -80.82 128.29 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HD23 ' A' ' 78' ' ' LEU . 26.1 mt -88.88 113.19 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.6 mt -104.01 134.57 47.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 44' ' ' ILE . 40.0 tpp -48.79 107.41 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 157.26 43.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 p -78.78 58.35 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.811 HD11 HD12 ' A' ' 44' ' ' ILE . 3.8 mt -42.04 -32.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.415 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.6 m -123.02 152.01 62.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 109.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.722 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -74.98 133.58 16.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.722 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 65.87 25.56 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.422 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.882 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.1 ttt -78.25 125.79 29.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.2 -30.71 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -164.35 -177.26 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.14 27.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -133.77 114.0 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.339 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.12 101.13 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.8 t -59.17 -64.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.0 ttpt -156.06 160.21 39.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.685 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 48.3 m95 -96.24 125.26 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' HB1' ' A' ' 40' ' ' ALA . 38.8 mt -81.75 -16.58 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.3 mttt -122.67 153.07 39.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -105.94 164.84 11.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.26 117.2 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 114.24 -12.24 21.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 155.63 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -77.11 163.34 26.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 23.6 t -141.8 148.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.358 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.8 t -128.57 158.89 37.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.52 141.43 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.76 41.85 95.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -127.82 139.58 52.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -68.58 120.65 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.7 mt -95.77 -53.34 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.34 169.74 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.8 mt-10 -106.04 123.43 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.811 HD12 HD11 ' A' ' 15' ' ' LEU . 14.1 mt -111.98 144.04 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.63 145.44 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 2.7 p -144.53 145.55 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.367 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -40.46 -40.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -74.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.69 -162.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.56 118.8 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -117.72 167.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.7 m -119.86 147.16 45.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.377 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.14 121.55 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -100.94 153.23 19.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -87.1 151.45 23.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -104.36 -24.25 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.74 164.03 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.24 126.89 40.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.7 -175.48 36.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.696 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -106.09 133.04 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 92.56 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -57.51 -67.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -141.59 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.685 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 84.0 mt -121.65 81.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' ILE . 40.5 t -39.42 -58.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.9 t -102.05 117.19 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.89 172.26 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.412 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pp20? -72.15 150.45 43.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.34 -13.89 51.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.89 173.57 12.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.25 162.86 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.45 63.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.0 mm -102.38 96.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -63.81 174.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.882 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.3 mt -82.79 152.32 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.27 49.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -73.1 124.4 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -67.7 128.69 37.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.13 -31.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.94 24.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -115.6 130.21 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.717 ' N ' HD13 ' A' ' 81' ' ' LEU . 45.8 mt -99.96 150.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.2 m -137.99 130.18 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 87' ' ' GLU . 1.1 mt-10 -41.55 124.09 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -38.58 115.21 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.85 3.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 5.6 mm-40 -139.51 48.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.46 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 14.8 p-90 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -113.23 110.16 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.237 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 78' ' ' LEU . 7.8 ptpt -83.65 123.44 29.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 82' ' ' ILE . 4.7 mt -90.46 114.79 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.6 mt -107.31 140.84 39.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.8 tpp -49.42 115.87 5.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.635 ' HG3' HD21 ' A' ' 53' ' ' LEU . 17.8 Cg_endo -75.11 162.37 36.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -88.63 58.18 4.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 44' ' ' ILE . 12.3 mt -41.88 -60.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.32 156.51 85.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -137.43 52.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.519 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.7 ttt -98.99 143.4 29.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.86 -25.94 10.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.05 156.09 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -120.82 -168.58 13.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -153.91 110.8 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.56 107.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.98 -59.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 15.3 tttt -154.2 142.49 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -81.99 125.57 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 40' ' ' ALA . 87.6 mt -86.73 2.3 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.695 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.0 mmtm -135.99 159.92 40.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -117.08 159.11 23.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HG3' HD12 ' A' ' 64' ' ' ILE . 52.6 mt-10 -70.06 122.87 20.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.76 -8.87 43.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.63 155.72 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 110.247 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.53 165.89 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.621 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -141.95 149.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 49.6 m -129.97 142.59 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.3 39.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.72 -36.53 4.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.99 152.96 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -78.24 131.94 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.6 1.188 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.695 HD23 ' HG3' ' A' ' 29' ' ' LYS . 11.5 mt -98.67 -56.06 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.14 167.64 27.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.372 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -97.99 116.05 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.965 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -92.74 132.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.58 128.57 38.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.9 p -142.48 149.67 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.415 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -39.84 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -51.8 -57.28 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 179.07 -171.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -85.68 106.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.99 163.82 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.577 HG21 ' HB1' ' A' ' 40' ' ' ALA . 4.8 m -119.16 144.53 46.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -86.61 110.1 19.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.86 151.16 24.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -79.61 137.3 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.0 m -92.96 -29.61 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -133.46 162.81 30.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.6 121.81 42.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -166.8 -176.01 37.45 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mm -96.68 134.59 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.31 88.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -47.57 -65.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -151.33 179.49 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.662 HD12 ' HG3' ' A' ' 31' ' ' GLU . 58.8 mt -128.29 98.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.507 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 38.2 t -55.83 -55.8 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 HD12 ' A' ' 73' ' ' ILE . 62.7 t -107.62 112.59 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.97 165.05 22.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.464 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.5 pt-20 -59.92 148.13 36.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.66 57.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.7 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.7 m -84.11 125.11 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -103.79 175.26 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.8 m120 43.88 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 70' ' ' SER . 3.5 mm -120.98 86.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 19' ' ' MET . 2.5 mt -83.34 154.28 24.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.91 39.75 64.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.7 118.32 29.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.8 mt -62.49 121.43 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' VAL . 40.1 pt -110.23 -25.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.774 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -174.52 153.93 17.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.79 157.54 22.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 10' ' ' ILE . 74.5 mt -123.55 144.46 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 62' ' ' ALA . 6.9 m -127.33 131.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mt-10 -44.26 125.69 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -38.68 139.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.21 -59.09 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.69 147.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -77.03 89.86 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.035 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -100.23 107.33 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 81' ' ' LEU . 10.7 ptpt -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 82' ' ' ILE . 60.2 mt -76.08 106.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 9' ' ' LYS . 12.0 mt -102.08 140.6 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.44 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 41.9 tpp -55.38 112.96 4.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.04 148.41 35.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -76.45 57.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -41.79 -51.38 4.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 157.22 56.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -140.9 58.92 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.0 ttt -110.49 143.94 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.84 -25.99 9.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -157.51 -178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.0 32.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -127.97 111.96 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -66.1 102.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . 16.9 t -62.34 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 6.7 ttpp -154.1 150.89 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.505 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.7 m95 -87.64 125.29 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 107.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' HB1' ' A' ' 40' ' ' ALA . 20.8 mt -85.83 -4.47 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 13.1 mmtt -130.72 159.56 36.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.37 161.17 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 64' ' ' ILE . 41.5 mt-10 -70.24 109.77 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 60' ' ' ILE . . . 122.73 -36.22 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.152 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.64 155.05 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.14 169.26 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.645 ' CG1' HD21 ' A' ' 41' ' ' LEU . 47.8 t -142.05 146.52 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -131.74 137.13 48.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 130.45 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.82 -38.33 3.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.87 142.13 58.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -66.26 141.19 58.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.4 mt -105.5 -53.35 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -157.98 172.57 18.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.9 mt-10 -105.47 134.32 48.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.97 HD11 HD12 ' A' ' 53' ' ' LEU . 31.9 mt -123.98 142.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' ND2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -90.23 140.39 29.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 22.0 p -144.38 152.83 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -45.12 -43.35 9.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -163.09 -168.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.6 p -80.61 102.05 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 m -101.64 164.87 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.402 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.424 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 23.2 m -118.06 145.22 44.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.97 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -87.86 114.82 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.21 135.57 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.8 141.99 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.66 -38.36 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -137.8 159.83 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.87 130.85 35.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -174.23 -175.86 42.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.4 mm -108.78 127.39 65.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 88.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.686 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -52.81 -58.37 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.185 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.09 176.18 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.656 HG21 ' OE2' ' A' ' 67' ' ' GLU . 79.4 mt -129.04 82.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.7 t -39.34 -60.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 73' ' ' ILE . 11.4 t -107.85 114.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 64' ' ' ILE . 19.7 mm-40 -79.17 -174.41 4.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.3 pt-20 -79.03 151.51 31.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.39 -19.59 52.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.56 158.74 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 -156.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 47.01 56.85 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.509 HG13 HD12 ' A' ' 24' ' ' ILE . 4.5 mm -98.38 83.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -40.37 160.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 19' ' ' MET . 4.1 mt -66.07 149.11 50.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.68 54.49 13.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -113.31 147.49 37.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.1 mt -77.81 118.45 20.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.23 -32.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.5 156.26 27.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.428 1.08 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -112.1 136.42 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 81' ' ' LEU . 42.5 mt -110.89 146.18 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 62' ' ' ALA . 27.5 m -130.98 139.42 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.69 131.06 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -38.37 112.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.55 64.84 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.73 39.78 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 50.06 75.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.45 ' CD1' HG21 ' A' ' 60' ' ' ILE . 11.2 p-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.09 107.39 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.21 126.89 32.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 82' ' ' ILE . 14.4 mt -90.6 105.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.509 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.4 mt -98.85 143.17 29.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.0 tpp -53.64 115.42 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.99 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.428 1.752 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 p -92.08 57.41 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -41.12 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.46 150.15 50.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.06 17.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.9 p -134.32 49.32 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.452 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -111.11 132.11 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -96.42 -28.25 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -159.78 169.77 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -135.41 175.96 20.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -135.28 110.73 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -64.52 102.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.56 -60.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -156.54 147.19 21.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.556 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 56.0 m95 -84.56 126.63 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 107.97 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.652 HD12 ' HB1' ' A' ' 40' ' ' ALA . 55.1 mt -86.82 -6.17 58.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.9 mmtm -128.63 157.81 40.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -112.33 163.23 14.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 64' ' ' ILE . 38.7 mt-10 -71.56 118.29 14.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.54 30.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.58 163.78 27.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.536 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 163.85 17.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.642 ' CG1' HD21 ' A' ' 41' ' ' LEU . 22.1 t -142.11 140.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -129.5 127.61 41.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.2 134.23 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.6 42.5 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.62 111.81 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.642 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.0 mt -87.81 -54.55 4.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.4 p -155.77 168.1 28.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.84 128.62 53.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 53' ' ' LEU . 47.8 mt -115.92 141.93 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 3.7 mt-10 -84.05 138.55 33.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 p -144.34 147.87 34.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.398 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -44.34 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -59.69 -68.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.05 -167.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.4 p -85.48 96.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 52' ' ' THR . 2.6 t -90.12 168.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' HB1' ' A' ' 40' ' ' ALA . 9.7 m -118.61 144.88 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -87.98 110.64 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -86.6 149.73 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.03 139.78 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -22.4 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.58 166.72 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.09 126.97 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.39 -172.65 35.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.8 mm -103.42 133.83 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.364 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.68 88.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -52.38 -63.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.201 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.3 pttt -150.23 174.34 12.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.556 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 58.1 mt -123.45 86.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 47.3 t -39.61 -54.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.8 t -114.78 116.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.29 -175.34 3.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.4 pt-20 -82.56 146.58 29.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.71 -3.51 34.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 73' ' ' ILE . 2.1 m -86.62 155.82 20.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 164.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m120 58.56 64.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.2 mm -100.33 97.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -59.26 155.76 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.05 163.73 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.75 39.24 93.4 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -119.67 129.61 54.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.056 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -66.86 122.63 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.413 HD11 HD13 ' A' ' 53' ' ' LEU . 34.5 pt -110.68 -29.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.73 153.63 24.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.72 129.05 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 10' ' ' ILE . 27.5 mt -100.18 153.38 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG22 ' HB2' ' A' ' 62' ' ' ALA . 1.6 m -135.07 132.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -38.34 126.41 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.92 123.16 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.62 -53.35 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.96 126.27 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.04 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' GLU . 32.2 p-90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.07 109.25 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.874 ' HA ' HD22 ' A' ' 81' ' ' LEU . 9.8 ptpt -85.06 127.18 34.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 82' ' ' ILE . 6.5 mt -91.0 104.86 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD21 ' HG ' ' A' ' 78' ' ' LEU . 23.5 mt -100.01 143.24 30.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.411 ' SD ' HD13 ' A' ' 44' ' ' ILE . 44.2 tpp -55.44 112.06 3.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 153.87 42.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.756 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -77.4 61.32 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -48.1 -58.0 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 156.42 85.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.88 12.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.84 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -145.66 56.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.524 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -105.77 136.4 45.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.53 -29.21 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -158.54 157.96 33.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -119.67 -163.54 12.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.171 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -157.73 109.59 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -65.81 104.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.77 -58.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -158.51 145.68 17.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.633 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 60.0 m95 -82.97 129.37 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 107.929 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD12 ' HB1' ' A' ' 40' ' ' ALA . 34.5 mt -85.63 -8.44 58.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -127.16 164.1 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.39 119.86 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.512 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 108.89 -28.8 10.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 155.57 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -79.71 167.39 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 41' ' ' LEU . 43.1 t -141.84 145.68 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -132.04 137.94 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 130.47 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.76 -29.91 11.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.87 150.61 46.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -74.81 138.92 42.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 35' ' ' VAL . 14.7 mt -103.65 -53.09 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 27' ' ' TRP . 24.4 p -158.18 175.64 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.339 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.55 136.84 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 53' ' ' LEU . 38.5 mt -123.24 145.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -91.59 140.8 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.54 HG21 ' CG2' ' A' ' 51' ' ' VAL . 6.4 p -144.82 153.74 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.24 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -64.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.57 -167.99 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -86.59 102.75 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.54 ' CG2' HG21 ' A' ' 46' ' ' THR . 2.5 m -103.13 155.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.5 m -108.51 140.66 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -84.88 124.25 31.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.83 145.88 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.45 149.75 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -18.77 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.12 169.55 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 123.93 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.226 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.29 -170.03 33.34 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.54 131.17 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.28 91.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -148.73 141.58 24.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.172 . . . . 0.0 109.341 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 57.2 mt -92.1 85.13 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 57.9 t -39.33 -59.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 73' ' ' ILE . 98.2 t -107.31 110.5 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.73 -177.7 5.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -76.55 160.13 29.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.45 80.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.572 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.1 m -90.07 124.93 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -102.83 172.69 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 49.94 81.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' HB3' ' A' ' 70' ' ' SER . 4.4 mm -117.62 88.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -51.83 169.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 19' ' ' MET . 6.3 mt -78.89 162.6 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.98 35.29 82.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.177 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -111.71 122.34 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -64.16 119.21 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 pt -107.41 -28.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.77 154.02 24.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.53 130.1 56.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 81' ' ' LEU . 11.2 mt -98.68 151.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 5.9 m -139.47 135.49 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.2 mt-10 -38.95 122.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -38.77 99.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 97.92 56.5 1.07 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -144.32 65.14 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 40.32 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.512 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 21.1 p-90 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 mt -102.16 109.41 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HA ' HD22 ' A' ' 81' ' ' LEU . 17.7 ptpt -81.9 124.92 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.869 HD12 ' C ' ' A' ' 80' ' ' GLY . 5.6 mt -87.31 103.11 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.25 141.29 30.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.473 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 39.8 tpp -56.3 115.95 11.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.881 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 159.09 41.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -85.93 57.57 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 44' ' ' ILE . 56.4 mt -42.32 -51.52 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.36 163.96 40.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.71 7.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.449 1.762 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.7 p -138.86 63.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.693 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.2 ttt -108.03 131.74 54.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -24.94 13.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -162.5 154.08 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -122.3 -165.74 12.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -152.65 112.69 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.5 mp -69.9 110.75 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.211 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.7 -59.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.1 ttpp -151.92 147.74 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.528 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 51.4 m95 -87.22 121.96 30.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD12 ' HB1' ' A' ' 40' ' ' ALA . 56.9 mt -76.81 -16.64 59.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 14.5 mmtt -123.49 160.29 27.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -116.23 169.92 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.6 115.54 12.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 118.56 -40.37 2.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.27 158.66 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.41 165.4 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG11 HD21 ' A' ' 41' ' ' LEU . 21.4 t -141.86 144.1 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.4 t -125.42 161.27 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.934 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 132.36 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.87 -36.23 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.11 141.72 49.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.63 141.44 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.662 HD21 HG11 ' A' ' 35' ' ' VAL . 12.6 mt -107.08 -54.21 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -151.62 175.73 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 108.345 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -104.53 116.34 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -93.29 135.91 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -98.29 131.13 44.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -138.23 147.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.09 -47.5 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -66.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.97 -170.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.57 124.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.27 159.21 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.2 m -116.25 140.32 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -88.6 122.72 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -98.89 152.68 19.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -77.4 142.29 39.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 t -96.67 -27.33 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -138.75 155.66 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.46 131.35 34.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -173.52 -178.61 43.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -103.13 133.17 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.49 88.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -53.44 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -147.23 142.01 26.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 67.8 mt -93.61 87.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.21 -58.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.66 122.72 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.89 -179.37 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.637 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.5 pt-20 -71.39 165.82 22.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.39 11.64 79.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -94.04 107.89 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.72 159.97 15.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.33 77.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.473 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 11.1 mm -110.33 90.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ILE . 6.7 mtt180 -37.83 156.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 19' ' ' MET . 4.8 mt -67.7 156.92 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.48 51.6 3.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.7 m -111.81 138.02 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -68.6 117.69 10.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.4 pt -108.53 -25.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.869 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.23 153.92 24.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.884 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.95 129.05 55.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.584 ' N ' HD13 ' A' ' 81' ' ' LEU . 10.2 mt -102.59 151.91 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.0 m -135.77 139.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.32 125.24 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.4 107.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 58.8 1.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -146.99 58.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 42.06 79.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.437 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 50.7 p-90 . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' ILE . 5.5 mt -94.14 110.06 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.936 ' HA ' HD22 ' A' ' 81' ' ' LEU . 3.0 ptpp? -73.02 128.69 36.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -83.01 109.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HD3' ' A' ' 9' ' ' LYS . 14.1 mt -107.89 136.65 47.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.5 tpp -50.53 106.1 0.6 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.02 152.54 40.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -77.35 59.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD11 HG13 ' A' ' 44' ' ' ILE . 81.4 mt -46.51 -29.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.3 m -124.54 156.63 67.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' C ' HG23 ' A' ' 18' ' ' THR . 18.0 Cg_endo -75.09 143.58 28.94 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 17' ' ' PRO . 1.1 p 52.2 25.41 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.886 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.9 ttt -72.98 105.64 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.21 -32.14 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -177.39 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -149.7 -164.94 12.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.494 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.66 122.72 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 79' ' ' ILE . 4.4 mt -77.37 106.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.92 -61.91 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 18.2 ttpt -152.11 159.41 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 33.4 m95 -96.44 123.14 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' HB1' ' A' ' 40' ' ' ALA . 25.9 mt -78.54 -18.31 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 41' ' ' LEU . 10.6 mttt -118.52 168.42 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -118.78 172.39 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' HD12 ' A' ' 64' ' ' ILE . 63.9 mt-10 -75.38 124.79 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.3 -13.06 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.118 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.01 160.35 31.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.775 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -81.07 166.5 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 41' ' ' LEU . 59.4 t -141.95 142.09 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.97 141.94 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.67 129.65 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 -40.84 2.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.46 146.11 36.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -79.59 135.26 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 35' ' ' VAL . 26.4 mt -99.52 -53.26 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 p -151.17 170.17 20.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -98.53 114.66 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 53' ' ' LEU . 2.7 mm -94.56 133.16 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -144.12 144.21 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.24 -41.44 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.45 -68.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 -169.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.8 p -86.37 107.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.55 166.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.5 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 5.2 m -123.72 144.7 49.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -84.99 118.69 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.15 138.96 37.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -62.72 139.63 58.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -96.69 -18.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -149.68 162.43 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.08 127.06 36.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.85 -178.54 41.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 34' ' ' ALA . 4.0 mm -103.84 132.89 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 88.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -50.32 -56.44 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.536 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.16 172.6 18.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 31' ' ' GLU . 80.2 mt -122.07 83.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.536 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 39.6 t -40.17 -60.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.34 123.21 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.45 -179.18 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pp20? -75.98 145.21 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.14 -18.38 18.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.636 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -71.67 164.88 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.984 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 153.25 41.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.39 72.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.636 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.6 mm -108.9 88.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 168.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.886 HD21 ' HG2' ' A' ' 19' ' ' MET . 10.8 mt -72.94 159.43 33.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 41.38 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -114.41 133.63 55.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.3 mt -78.32 106.6 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 24' ' ' ILE . 27.4 pt -106.73 -11.41 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.21 14.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -116.47 139.19 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.739 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.832 ' N ' HD13 ' A' ' 81' ' ' LEU . 32.9 mt -111.31 144.86 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 62' ' ' ALA . 35.8 m -133.22 130.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -39.21 127.31 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.02 125.0 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . 110.89 -53.7 0.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.6 mm-40 -38.72 125.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.9 p-90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -143.23 135.33 26.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 109.97 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -169.43 91.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.3 150.69 19.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -154.98 159.7 40.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -142.77 90.52 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.63 -172.16 14.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -112.63 112.58 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.807 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.8 ptpt -82.87 128.87 34.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 82' ' ' ILE . 14.7 mt -94.92 115.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 10' ' ' ILE . 13.1 mt -110.02 139.24 45.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 46.4 tpp -47.45 114.36 3.03 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.831 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.96 160.53 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.66 56.7 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 44' ' ' ILE . 54.8 mt -41.97 -52.33 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.32 60.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.07 8.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 p -138.55 58.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.431 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.6 ttt -106.16 136.84 45.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.09 -27.99 13.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -160.27 170.08 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -132.54 -169.25 12.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.493 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.72 110.6 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -69.65 107.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.3 -59.89 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -156.08 140.23 16.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -76.77 133.09 39.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD12 ' HB1' ' A' ' 40' ' ' ALA . 44.4 mt -91.17 -6.66 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HG3' HD23 ' A' ' 41' ' ' LEU . 16.8 mmtt -131.7 160.22 36.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -116.41 164.1 15.05 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -69.8 120.83 16.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.64 -14.78 35.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.66 156.06 27.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.22 164.81 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t -142.03 144.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.52 130.09 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.6 -40.29 2.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.83 153.49 13.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -81.32 132.83 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -98.1 -55.71 2.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 p -151.81 166.8 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.233 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.95 114.89 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.811 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -93.17 126.92 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.77 134.51 33.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.238 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -144.27 150.58 38.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -43.2 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -59.67 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.82 -173.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.6 p -87.28 105.71 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.1 157.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB1' ' A' ' 40' ' ' ALA . 7.5 m -113.58 148.69 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.831 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -91.15 110.88 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -88.91 149.45 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.1 133.9 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -89.82 -22.72 21.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.36 167.37 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.55 125.29 49.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.97 -179.16 41.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.502 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.2 mm -96.99 134.22 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.248 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 88.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.91 -65.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -152.6 176.76 11.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 74.5 mt -126.44 106.64 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 68.0 t -66.62 -52.16 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.065 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 73' ' ' ILE . 90.8 t -107.04 111.21 34.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.56 165.72 20.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -64.04 148.24 50.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -17.57 33.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -71.49 144.6 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.18 153.24 43.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.01 74.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 70' ' ' SER . 3.9 mm -109.25 88.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -50.51 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 19' ' ' MET . 8.0 mt -80.36 156.7 26.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.78 40.41 75.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -120.77 128.87 53.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.797 . . . . 0.0 109.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.9 mt -71.14 120.44 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.1 pt -110.77 -19.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 10' ' ' ILE . . . 177.52 156.91 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.42 157.47 23.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 10' ' ' ILE . 28.3 mt -118.75 153.47 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.1 m -135.78 133.78 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 2.4 mt-10 -47.17 125.54 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -38.72 127.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.16 -56.2 0.47 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.92 137.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.61 89.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 48.3 p-90 -57.69 -49.1 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 3.5 tttm -51.53 -62.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.51 121.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.63 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.81 147.66 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t 179.57 148.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 149.83 -157.1 27.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.45 149.24 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.6 m 63.53 86.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -101.32 73.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.962 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -170.98 123.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.069 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.94 73.89 0.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 99.59 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.049 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -106.48 101.72 11.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . 144.7 -174.16 24.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 mt -106.44 104.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.879 ' HB2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -79.06 118.68 21.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HG13 ' A' ' 82' ' ' ILE . 11.9 mt -89.84 118.61 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD11 ' HE2' ' A' ' 9' ' ' LYS . 20.1 mt -111.3 138.27 47.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 44' ' ' ILE . 46.0 tpp -48.65 111.19 1.74 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 150.68 38.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 57.27 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.37 -55.67 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.9 159.01 79.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -134.57 54.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 46' ' ' THR . 4.2 ttt -103.59 122.01 44.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -27.99 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 2.4 pt-20 -164.92 175.9 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.06 171.82 24.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.21 20.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -72.78 103.72 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.68 -64.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 5.2 ttpt -151.97 151.84 31.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.8 120.68 29.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.014 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -76.26 -9.45 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HG3' HD23 ' A' ' 41' ' ' LEU . 4.9 mttm -125.69 157.7 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -111.6 160.1 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.92 117.3 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.54 -28.77 8.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.72 161.77 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 0.816 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.11 168.37 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.88 141.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -129.83 123.39 30.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . . . -39.44 135.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 32.31 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.53 142.62 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.708 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.09 121.33 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 29' ' ' LYS . 12.1 mt -97.32 -55.95 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.16 170.89 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -100.7 117.87 35.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -96.51 137.3 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.35 131.72 37.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.556 HG22 ' SD ' ' A' ' 19' ' ' MET . 2.5 p -138.33 158.93 43.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -25.24 65.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -67.37 -56.77 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . -179.71 -169.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.9 p -82.19 108.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.5 166.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 m -122.08 145.63 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.842 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.35 119.38 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.27 151.86 19.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.68 158.85 31.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -24.82 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.75 166.4 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.26 123.93 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.11 -167.55 29.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -108.41 138.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.512 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -65.98 90.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.92 142.36 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG13 HD22 ' A' ' 61' ' ' LEU . 59.7 mt -92.29 85.43 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -40.32 -59.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.06 106.37 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -74.67 165.81 24.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.7 pt-20 -57.83 167.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.51 -7.96 73.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.553 ' HB2' HD11 ' A' ' 73' ' ' ILE . 83.9 p -71.96 165.51 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.98 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 160.64 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.89 52.95 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 70' ' ' SER . 10.9 mm -94.8 84.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 14.5 ptt180 -53.39 178.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.9 mt -84.36 149.98 25.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.36 42.43 49.37 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 79' ' ' ILE . 1.4 m -123.86 119.96 31.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.2 mt -62.74 115.45 4.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 77' ' ' SER . 13.7 pt -104.49 -34.09 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -166.22 154.12 24.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.068 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -115.73 156.24 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.733 HG13 HD11 ' A' ' 10' ' ' ILE . 10.7 mt -122.82 140.88 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 62' ' ' ALA . 21.0 m -122.54 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.2 mt-10 -39.0 123.94 1.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 2.6 mt-10 -38.32 140.56 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.39 -57.9 1.0 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 127.67 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.46 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -58.5 -44.58 89.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -52.26 117.49 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -49.87 140.93 11.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.62 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.4 t -121.18 -68.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 t -172.4 146.33 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.79 177.24 18.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 59.21 5.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.1 t 44.64 85.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 m -87.15 -58.97 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -142.02 -57.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 p -100.17 114.2 27.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.405 1.066 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 173.63 15.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -154.07 -61.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -99.21 170.72 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 117.88 164.21 13.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -96.23 108.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.232 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.886 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.87 132.53 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' HD23 ' A' ' 78' ' ' LEU . 62.2 mt -92.31 111.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.1 mt -108.38 140.37 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.407 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.9 tpp -53.32 110.99 2.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.698 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 159.41 41.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -82.31 59.57 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.935 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 44' ' ' ILE . 15.8 mt -44.4 -53.49 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -78.47 170.26 17.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -136.5 61.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.761 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -90.99 153.23 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -113.37 -15.29 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -173.35 178.1 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' ILE . . . -138.13 -168.35 11.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' HB2' ' CB ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -157.0 108.65 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.68 111.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.23 -52.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.4 tttt -160.12 153.81 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.722 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 49.8 m95 -92.9 127.76 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 31.1 mt -83.37 -14.53 52.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.6 mmtt -122.38 159.77 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -112.99 171.29 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -74.2 125.68 28.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 99.45 -13.54 61.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.05 157.38 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 0.792 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -80.81 166.56 20.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.634 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.5 t -141.84 148.25 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 5.0 m -132.77 138.38 47.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.83 129.79 43.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.17 -28.18 16.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.66 148.8 36.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -76.59 133.44 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.731 HD23 ' HG3' ' A' ' 29' ' ' LYS . 18.4 mt -96.97 -53.18 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.7 p -149.79 167.74 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -96.36 118.22 32.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -95.77 130.29 44.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 3.4 tt0 -93.91 134.12 36.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -141.98 145.58 34.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -46.91 -40.29 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -69.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.54 -169.14 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -88.48 100.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.56 155.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.571 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 9.1 m -113.4 144.47 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.452 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.18 123.66 34.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.45 144.19 31.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.9 150.9 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -22.39 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -147.17 143.24 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 124.91 28.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.05 -176.58 39.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' ALA . 5.3 mm -99.21 135.25 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 0.725 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -68.2 89.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.92 -67.63 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -149.96 142.19 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 66.0 mt -93.84 84.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' ILE . 46.6 t -40.18 -59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 24' ' ' ILE . 53.2 t -101.03 115.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.61 172.38 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.36 138.29 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.72 -2.26 15.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -88.02 157.07 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 145.57 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 71.78 79.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.6 mm -115.41 96.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.98 176.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 19' ' ' MET . 4.3 mt -86.11 153.53 22.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.88 31.22 64.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -113.72 124.67 52.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 0.816 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -67.09 118.61 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -107.58 -26.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.38 153.85 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.886 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -118.5 134.73 54.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.76 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.6 mt -105.81 150.63 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.35 143.14 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . 3.2 mt-10 -48.18 124.31 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.46 144.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.92 64.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.68 162.51 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -70.07 74.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 43.5 p-90 -75.14 -53.29 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 108.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' HB3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -46.77 111.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.598 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.13 -58.68 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -71.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.61 -156.04 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.68 4.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.2 p -131.51 167.98 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.043 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.6 m -63.57 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.98 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.03 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -164.78 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.02 68.33 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.91 131.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.942 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -139.84 124.27 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.12 -176.3 32.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 82' ' ' ILE . 7.3 mt -103.32 107.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.3 ptpt -80.2 126.27 30.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.933 HD11 HG13 ' A' ' 82' ' ' ILE . 6.8 mt -87.6 106.88 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.0 mt -101.69 143.54 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.453 ' SD ' HD12 ' A' ' 44' ' ' ILE . 41.5 tpp -54.47 112.67 4.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.686 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.02 155.34 42.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 p -79.91 58.98 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 44' ' ' ILE . 7.4 mt -43.63 -45.91 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -90.27 157.7 44.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -75.02 -19.89 17.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.422 1.749 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 17' ' ' PRO . 80.9 p -152.68 66.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.57 ' SD ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -115.56 120.8 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -34.68 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -161.61 170.85 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.447 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -135.34 -160.78 9.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 1.4 m-80 -159.6 115.66 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.81 113.96 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 t -71.41 -58.35 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 14.0 ttpt -155.45 146.13 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.6 m95 -84.13 125.79 32.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 40' ' ' ALA . 32.4 mt -81.43 -18.18 46.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HG3' HD23 ' A' ' 41' ' ' LEU . 9.6 mmtt -119.51 162.48 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -113.12 173.17 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG3' HD12 ' A' ' 64' ' ' ILE . 58.4 mt-10 -78.07 128.37 33.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.42 -9.35 64.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.24 156.37 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -76.62 166.69 23.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.798 HG13 HD21 ' A' ' 41' ' ' LEU . 44.6 t -141.92 144.1 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.27 140.95 49.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.34 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.92 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.39 1.056 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.11 144.16 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -75.1 137.84 41.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD21 HG13 ' A' ' 35' ' ' VAL . 26.2 mt -102.26 -53.8 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -149.36 173.66 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -104.7 121.88 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.906 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -98.18 145.84 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.52 131.88 46.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' SD ' ' A' ' 19' ' ' MET . 6.4 p -138.38 145.91 41.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -34.67 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -66.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.0 -167.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -82.93 114.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.92 165.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 29.2 m -122.17 141.4 51.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.906 HD12 HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -86.66 115.7 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -94.09 148.1 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.16 141.52 49.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.06 -32.35 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.84 165.02 26.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.99 122.0 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.35 -179.11 40.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.7 mm -94.76 136.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 88.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.56 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -154.3 174.87 14.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 64' ' ' ILE . 63.7 mt -121.27 81.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.5 t -38.05 -57.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -111.92 118.79 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.11 -178.73 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 24' ' ' ILE . 2.3 pt-20 -70.45 164.07 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.33 -1.91 73.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' HD11 ' A' ' 73' ' ' ILE . 54.8 m -75.06 113.01 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.82 168.62 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 48.76 72.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.1 mm -108.47 87.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -56.82 167.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' MET . 11.5 mt -75.91 157.52 33.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.81 34.93 90.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -112.89 128.94 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.777 . . . . 0.0 109.972 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -71.05 117.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.6 pt -110.97 -23.67 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.773 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -163.24 153.78 24.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -119.12 128.63 54.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.933 HG13 HD11 ' A' ' 10' ' ' ILE . 7.9 mt -100.61 153.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.6 m -139.51 131.46 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -38.67 122.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -42.45 123.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.76 -57.95 0.5 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.0 tt0 -40.51 132.08 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -61.21 83.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.47 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 45.4 p-90 -46.91 -48.07 21.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 1.5 tttt -53.04 128.73 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -66.9 170.42 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.1 t 60.54 110.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -109.64 140.17 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.82 -156.16 7.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.1 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -110.65 105.3 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -95.38 -58.1 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -94.59 -57.34 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.944 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m 73.44 -68.1 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.35 103.08 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -78.25 101.08 6.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 0.826 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -145.8 107.71 4.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.034 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.67 165.56 22.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.0 mt -95.4 110.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.993 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.5 ptmt -84.0 113.81 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 82' ' ' ILE . 10.8 mt -74.57 121.18 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' HE2' ' A' ' 9' ' ' LYS . 46.8 mt -115.28 139.24 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.1 tpp -49.89 112.36 2.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.863 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 154.38 42.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 56.98 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 44' ' ' ILE . 70.7 mt -40.7 -43.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -102.6 150.35 37.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.86 21.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -139.2 52.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.9 ttt -112.94 116.88 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.88 -30.12 40.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 7.7 pt-20 -162.76 173.69 13.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -139.8 -173.98 13.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.591 1.182 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.481 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.87 119.47 6.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.03 114.73 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.36 -58.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 16.2 ttpp -152.12 143.85 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 40.7 m95 -84.31 126.34 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.045 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -84.43 -12.75 53.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.6 mmtt -123.78 161.64 24.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.94 165.96 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD12 ' A' ' 64' ' ' ILE . 49.3 mt-10 -73.3 117.52 15.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.36 -20.62 23.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.92 160.56 32.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -84.15 166.93 17.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.581 ' CG1' HD21 ' A' ' 41' ' ' LEU . 59.2 t -142.05 148.19 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -133.76 141.19 47.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.98 131.64 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.05 -33.43 5.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.0 149.86 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -79.35 143.24 35.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 29' ' ' LYS . 24.5 mt -107.84 -52.66 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 p -154.72 174.37 15.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.86 123.29 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -98.47 141.09 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 7.7 p -140.84 144.89 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -53.54 -32.35 50.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -63.48 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -171.79 -167.86 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.2 p -88.42 112.96 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.42 161.45 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.482 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 15.7 m -115.69 143.95 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.863 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -86.78 113.12 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.93 144.67 25.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.46 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.78 -18.72 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -146.37 169.86 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.38 124.43 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.96 178.34 42.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.9 mm -96.06 133.77 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 88.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.63 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' CE ' HG22 ' A' ' 65' ' ' VAL . 21.4 pttt -149.1 175.18 11.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.6 HG21 ' OE2' ' A' ' 67' ' ' GLU . 64.8 mt -123.57 84.37 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 63' ' ' LYS . 33.4 t -39.89 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -108.8 116.0 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.6 ' OE2' HG21 ' A' ' 64' ' ' ILE . 13.3 mm-40 -78.97 177.63 8.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -68.54 163.9 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.207 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.07 -8.05 68.58 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 169.53 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 161.86 40.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.94 59.28 2.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.633 1.208 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.7 mm -104.41 86.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 12.7 mtp180 -55.25 177.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 19' ' ' MET . 6.6 mt -83.26 151.27 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.91 36.9 60.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.9 t -113.86 147.38 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 0.794 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.993 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.9 mt -84.15 116.21 22.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -111.08 -31.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.99 153.74 24.4 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.67 134.46 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.763 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.8 mt -104.09 154.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.8 m -139.82 134.05 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -44.92 122.52 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.78 124.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.55 -59.08 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -41.65 129.73 3.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.554 0.797 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.5 93.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -59.62 -46.62 88.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.32 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -45.23 -53.86 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.655 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.76 140.94 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.0 t -128.88 151.89 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.056 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.16 156.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.8 p -78.18 141.01 38.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -56.87 155.12 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.055 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -108.61 120.35 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 -59.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.83 -135.65 14.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 70.58 122.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -47.06 158.69 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.9 175.64 16.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 mt -103.64 108.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.911 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.4 pttt -81.66 120.42 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.598 ' O ' HD23 ' A' ' 78' ' ' LEU . 65.5 mt -87.34 116.82 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.391 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HE2' ' A' ' 9' ' ' LYS . 21.9 mt -110.3 144.5 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' HD12 ' A' ' 44' ' ' ILE . 49.0 tpp -53.06 113.46 4.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.9 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 162.22 37.54 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' LEU . 17.3 p -90.29 56.33 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . 86.8 mt -39.51 -55.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -82.46 151.77 66.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.97 21.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.6 p -146.5 56.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.484 ' CB ' ' HB2' ' A' ' 16' ' ' SER . 4.3 ttt -112.26 122.54 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.39 -26.32 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.56 173.49 9.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -145.22 174.79 25.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.39 124.68 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.31 103.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.89 -63.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 19.7 ttpt -150.05 156.82 42.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 37.7 m95 -92.33 122.76 35.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 107.966 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD12 ' HB1' ' A' ' 40' ' ' ALA . 82.1 mt -83.75 -2.15 55.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.5 mttm -134.43 159.08 42.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -115.25 159.74 20.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.9 mt-10 -67.9 124.54 23.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.44 -20.18 32.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.67 159.61 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.29 164.61 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 38.8 t -142.13 147.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.3 t -131.81 156.85 45.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.07 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.82 43.49 96.08 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.6 142.43 51.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.67 118.11 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD23 ' HG3' ' A' ' 29' ' ' LYS . 14.6 mt -98.29 -54.55 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 52' ' ' THR . 22.7 p -151.08 170.06 20.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.32 115.67 29.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.875 HD11 HD12 ' A' ' 53' ' ' LEU . 3.1 mm -92.85 138.47 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.68 130.52 43.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 p -138.96 143.97 38.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.344 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -35.93 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -66.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 -167.95 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.1 p -87.51 106.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -112.07 165.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 42' ' ' CYS . 22.4 m -121.3 146.68 46.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -85.04 130.63 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -107.45 151.65 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -83.74 144.15 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.16 -20.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -138.14 160.04 40.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 122.3 41.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.21 176.27 41.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -90.5 139.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -70.69 90.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -54.05 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.75 173.37 12.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.41 79.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 28.6 t -38.87 -60.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 78' ' ' LEU . 85.1 t -104.03 113.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.88 -177.41 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.3 pt-20 -79.25 168.47 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.64 86.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 170.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 143.15 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.39 75.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' GLY . 6.5 mm -114.09 86.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -51.52 168.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.38 156.57 35.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.35 40.79 69.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 m -123.65 128.57 49.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 2.8 mt -69.53 119.75 14.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.81 -26.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.76 153.68 24.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -120.42 131.87 54.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.5 mt -100.93 158.13 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.6 m -139.82 132.88 35.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.57 123.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 140.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.84 65.48 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.56 159.71 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.86 86.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 90' ' ' LYS . 40.4 p-90 -82.85 -52.3 6.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.059 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 1.2 ptmt -78.41 138.67 38.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -57.75 111.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 94' ' ' GLY . 69.2 t -145.61 108.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.2 m -85.81 87.35 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' O ' HG12 ' A' ' 92' ' ' VAL . . . 114.66 149.29 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.93 3.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 t 51.65 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.0 p -79.17 100.43 7.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.088 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 p -107.67 158.81 16.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -143.69 -57.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.195 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.03 147.52 10.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -127.29 164.46 21.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 0.804 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -97.62 103.1 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.22 176.61 41.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -105.48 110.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.26 125.5 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 82' ' ' ILE . 4.9 mt -89.8 106.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' HD3' ' A' ' 9' ' ' LYS . 17.3 mt -101.15 143.5 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 tpp -53.19 112.41 3.58 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.757 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.14 152.98 40.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.52 57.37 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 44' ' ' ILE . 62.8 mt -42.34 -51.42 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.27 161.54 51.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -30.69 6.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.1 p -139.28 61.95 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 ttt -108.97 108.28 18.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.185 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.72 -29.62 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.04 166.99 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -127.24 -166.94 12.23 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -156.29 108.34 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.36 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 t -69.08 -60.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 24.7 tttp -152.11 153.4 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -92.71 123.49 36.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' A' ' 40' ' ' ALA . 40.1 mt -76.5 -22.59 54.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.1 mttt -114.17 166.32 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.6 163.7 16.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 64' ' ' ILE . 10.0 mt-10 -69.52 115.45 8.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.84 -16.68 20.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.511 1.132 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.76 163.89 26.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 0.776 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 165.95 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.595 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -142.02 143.97 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.6 m -131.14 135.87 47.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.31 30.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.59 -39.55 2.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.37 148.69 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -76.33 137.68 40.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.595 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.2 mt -102.31 -53.47 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 52' ' ' THR . 28.8 p -153.33 175.18 13.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 108.262 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -102.37 116.68 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.883 HD11 HD12 ' A' ' 53' ' ' LEU . 4.3 mm -92.93 132.35 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 4.0 tt0 -93.25 120.45 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 HG22 ' A' ' 51' ' ' VAL . 22.8 p -130.54 148.55 52.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.39 -41.2 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -52.95 -65.3 0.58 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.72 -169.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.6 p -89.19 102.93 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 46' ' ' THR . 6.4 m -106.09 164.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.634 HG21 ' HB1' ' A' ' 40' ' ' ALA . 3.1 m -119.54 145.97 45.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 110.411 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -85.63 106.83 17.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.98 145.58 29.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -70.36 135.65 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -21.26 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.65 164.67 31.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 120.15 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.35 173.15 41.8 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.3 mm -88.69 135.41 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.417 0.716 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -49.91 -66.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.211 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HZ1' HG22 ' A' ' 65' ' ' VAL . 5.2 pttp -148.99 173.2 13.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' ILE . 77.8 mt -120.25 85.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 78' ' ' LEU . 25.0 t -39.87 -60.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -105.66 113.15 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.34 156.72 31.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.4 pt-20 -54.01 151.36 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.34 -11.46 58.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -81.44 132.64 35.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ASN . 9.3 mmtm -110.49 -177.39 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.0 m120 39.86 77.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 70' ' ' SER . 6.7 mm -112.77 88.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -53.1 171.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 mt -80.52 153.97 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.66 42.1 72.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -122.97 129.46 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.5 mt -70.09 119.05 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 pt -111.44 -25.99 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.871 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.33 153.64 24.35 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -118.71 135.2 54.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.915 HG13 HD11 ' A' ' 10' ' ' ILE . 25.0 mt -105.49 156.95 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.8 m -140.43 132.13 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.71 125.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.95 151.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.16 58.58 13.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.35 162.45 35.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -88.41 80.78 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 44.5 p-90 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -57.47 -59.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 128.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -123.28 113.73 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.0 p -104.93 138.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -171.03 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 97.15 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.77 113.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.58 86.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -168.76 140.78 2.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -109.58 158.29 18.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.87 -154.81 0.62 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.09 -58.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -135.01 136.46 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.87 165.52 34.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.596 1.185 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.87 114.65 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.854 ' HB2' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -87.09 125.16 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG13 ' A' ' 82' ' ' ILE . 11.5 mt -86.95 115.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' HG ' ' A' ' 78' ' ' LEU . 16.2 mt -111.33 135.55 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.451 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.5 tpp -49.28 123.79 13.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.6 Cg_endo -74.94 156.21 43.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 p -91.06 57.12 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -42.32 -61.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.98 166.36 16.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -29.72 8.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' MET . 71.2 p -137.11 25.56 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -36.83 141.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -33.53 4.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -173.33 123.41 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 -166.95 41.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -154.48 108.37 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 68' ' ' GLU . 59.3 mt -69.73 110.83 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.46 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 17.7 ttpp -154.61 154.45 33.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.531 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 38.9 m95 -89.94 128.31 36.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.076 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 40' ' ' ALA . 26.8 mt -82.95 -17.16 44.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -123.71 171.76 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -123.81 175.84 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.32 126.07 30.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.286 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.5 -10.98 63.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.64 150.19 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.74 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -69.82 163.97 24.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 24.8 t -141.87 145.12 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -131.55 133.4 45.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.58 129.39 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.93 -28.2 15.72 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.57 145.35 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -74.31 128.64 36.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 22.5 mt -90.79 -53.88 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.46 166.8 28.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.202 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -97.63 116.66 30.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -93.95 138.6 20.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.73 132.4 44.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -142.8 145.07 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -49.42 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -61.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.15 -170.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.4 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -96.99 168.0 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.591 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 3.0 m -127.29 145.19 50.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -87.05 128.19 35.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.8 143.19 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.8 140.2 58.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -31.37 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -138.53 158.6 43.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.36 129.11 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.91 -168.02 33.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.74 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -110.67 137.19 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 88.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.38 -68.96 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.4 141.5 20.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.531 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 64.7 mt -92.14 85.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.87 -59.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.17 121.91 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.77 -177.86 6.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.8 pt-20 -71.91 170.98 12.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 1.74 72.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 73' ' ' ILE . 20.3 m -86.86 107.0 18.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' CD ' ' HB3' ' A' ' 23' ' ' ASN . 3.1 mmmt -90.97 174.99 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.8 m120 42.5 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.2 mm -113.62 92.51 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -45.96 159.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.918 HD11 ' O ' ' A' ' 19' ' ' MET . 6.8 mt -78.64 157.29 28.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.74 93.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.6 m -114.1 138.08 50.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.854 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -76.68 117.9 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 pt -107.06 -17.93 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.8 154.84 12.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.5 150.9 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 0.825 . . . . 0.0 109.348 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.702 HG13 HD11 ' A' ' 10' ' ' ILE . 21.0 mt -114.91 149.38 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -133.69 130.78 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -42.19 123.76 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.97 125.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.24 -53.78 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.2 mt-10 -43.8 120.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.21 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 34.6 p-90 -76.9 -48.45 18.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -52.51 -65.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.48 -63.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.04 -62.82 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.89 108.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.2 175.04 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -53.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t -43.44 118.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.9 t -134.57 135.31 42.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t 52.09 98.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 t 59.54 92.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.16 152.32 23.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t 179.35 123.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 100.44 3.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.66 176.3 47.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 82' ' ' ILE . 6.0 mt -100.34 110.43 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.8 ptpt -84.69 126.03 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 82' ' ' ILE . 52.3 mt -91.06 109.77 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 9' ' ' LYS . 16.1 mt -103.38 140.93 36.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 44' ' ' ILE . 44.2 tpp -53.32 112.98 4.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.77 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 166.43 29.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 p -91.32 57.23 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 44' ' ' ILE . 74.0 mt -44.2 -47.99 9.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -85.02 157.11 60.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -129.91 53.64 1.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.7 ttt -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -26.19 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -163.15 170.67 17.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.82 177.59 19.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 121.9 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.75 115.53 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.96 -59.3 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -151.19 137.8 18.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.49 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 30.0 m95 -78.31 121.4 24.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.8 mt -80.0 -5.33 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -129.29 157.45 41.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -114.06 169.04 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.3 126.34 29.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.3 -22.06 40.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.52 168.48 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -91.43 164.09 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.516 ' CG1' HD21 ' A' ' 41' ' ' LEU . 19.9 t -142.03 137.66 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -131.75 127.0 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.92 133.51 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.09 23.27 45.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.95 139.27 52.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -66.37 117.75 9.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt -91.68 -53.72 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -152.79 175.95 12.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -104.34 117.1 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.356 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.856 HD11 HD12 ' A' ' 53' ' ' LEU . 3.0 mm -93.77 131.63 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.93 130.83 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.6 p -141.01 144.78 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -38.47 54.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -63.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.9 -163.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -94.08 104.1 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -106.22 165.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 m -118.19 145.75 44.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -89.76 117.9 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 152.28 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.92 141.96 37.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -103.03 -7.58 21.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -151.61 163.45 39.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 3.7 p-10 -102.7 132.41 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA3' HG23 ' A' ' 82' ' ' ILE . . . -175.2 -167.95 35.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.74 134.21 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 88.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.49 ' O ' ' CE3' ' A' ' 89' ' ' TRP . . . -56.83 -69.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.86 143.64 32.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 65.7 mt -95.73 87.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -42.54 -59.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -107.98 118.44 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.87 -175.03 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.56 163.8 23.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.49 -19.15 41.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.15 176.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.78 160.38 33.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.147 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.5 67.8 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.9 mm -111.15 84.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -53.04 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.98 153.21 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.43 32.12 58.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.5 m -115.5 134.18 55.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -73.27 118.85 16.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.2 pt -106.84 -29.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.78 24.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.68 129.66 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.629 ' N ' HD13 ' A' ' 81' ' ' LEU . 5.9 mt -103.45 142.74 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -123.62 141.02 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mm-40 -48.02 121.14 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' GLU . 5.1 mt-10 -38.66 129.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.64 -56.7 0.51 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.56 118.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.99 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 15.3 p-90 -71.93 -53.29 13.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -94.87 93.34 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -41.11 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.2 m -92.01 152.67 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 t -144.9 -61.55 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.31 163.96 30.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.564 1.165 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.03 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.8 p -54.72 169.52 0.21 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.604 1.19 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.3 p -94.57 89.74 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -45.11 113.19 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -153.88 115.77 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.95 157.97 16.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.51 -61.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 110.07 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -133.06 154.97 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' HA3' HD21 ' A' ' 81' ' ' LEU . . . 112.42 -177.44 18.49 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 HG22 ' A' ' 82' ' ' ILE . 14.5 mt -107.12 103.75 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HB2' HD21 ' A' ' 78' ' ' LEU . 11.3 pttt -77.0 114.25 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 82' ' ' ILE . 4.6 mt -86.0 105.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.824 HD11 ' HE3' ' A' ' 9' ' ' LYS . 32.6 mt -95.7 139.27 32.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.7 tpp -48.01 116.83 5.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.97 158.87 42.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -89.14 56.53 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 51' ' ' VAL . 71.8 mt -41.02 -45.05 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.27 154.46 40.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.42 14.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.4 p -136.15 56.58 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.2 ttt -111.03 139.74 46.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -112.38 -20.49 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -179.56 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.03 -177.45 27.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -138.75 108.31 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.48 99.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -59.4 -64.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.3 ttpp -150.29 151.76 33.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 29.7 m95 -89.62 121.65 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 ' HB1' ' A' ' 40' ' ' ALA . 28.1 mt -80.22 -3.15 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.785 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.8 mmtt -130.21 161.09 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -114.81 166.41 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.71 126.05 30.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.22 24.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.07 173.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -94.17 163.97 13.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.626 ' CG1' HD21 ' A' ' 41' ' ' LEU . 18.6 t -142.21 141.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -130.05 137.0 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 130.39 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.93 32.79 9.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.65 141.04 48.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.06 117.77 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -91.08 -53.45 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -149.89 163.83 37.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -94.21 114.86 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -92.96 142.55 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -101.92 134.76 44.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p -142.13 145.27 34.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -36.7 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -68.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.61 -169.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.6 p -84.14 112.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 15' ' ' LEU . 9.2 m -112.16 165.5 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.52 HG21 ' CB ' ' A' ' 40' ' ' ALA . 4.8 m -120.59 146.41 46.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.776 HD12 HD11 ' A' ' 44' ' ' ILE . 1.3 tt -94.02 110.06 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.6 150.79 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.69 39.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.5 -12.61 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -153.86 159.97 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.53 130.94 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.411 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -172.05 -167.95 32.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.5 mm -108.26 138.1 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -68.37 88.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.93 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -152.95 142.94 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -92.6 82.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 58.5 t -39.95 -59.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 73' ' ' ILE . 73.8 t -101.24 109.69 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 166.44 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -60.13 173.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.349 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.71 61.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.4 p -79.55 171.63 14.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -163.91 145.57 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 2.4 t-20 80.28 49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 66' ' ' VAL . 11.3 mm -89.46 89.8 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.95 163.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 19' ' ' MET . 4.4 mt -68.79 153.76 43.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.89 56.73 6.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.61 147.18 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.041 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.884 HD21 ' HB2' ' A' ' 9' ' ' LYS . 4.0 mt -80.77 112.53 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 pt -105.67 -32.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -164.47 154.3 25.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.433 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -119.25 150.03 40.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.665 HG13 HD11 ' A' ' 10' ' ' ILE . 12.5 mt -116.21 150.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.655 HG13 ' HB2' ' A' ' 62' ' ' ALA . 16.6 m -127.33 130.31 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.99 127.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 133.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.02 -57.59 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.51 108.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.329 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -40.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.495 ' CZ2' ' HG3' ' A' ' 90' ' ' LYS . 45.7 p-90 -65.81 -52.16 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 89' ' ' TRP . 0.4 OUTLIER -50.85 164.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -41.58 131.99 2.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.8 p -92.48 150.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.42 88.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.71 -159.63 12.68 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.408 1.068 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 86.68 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.77 142.52 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.39 168.66 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.75 157.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 59.48 169.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.25 72.7 1.03 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -113.4 94.1 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 0.712 . . . . 0.0 109.985 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.97 175.05 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.36 -175.22 16.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.072 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -105.78 107.6 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.3 ptpp? -82.89 125.61 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 82' ' ' ILE . 8.9 mt -89.61 106.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.5 mt -100.17 141.06 33.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.443 ' HE3' ' HB ' ' A' ' 73' ' ' ILE . 48.9 tpp -51.09 106.53 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.603 ' CG ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 155.27 43.07 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.59 57.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 44' ' ' ILE . 13.4 mt -40.81 -34.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -127.05 152.76 76.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.724 ' C ' HG23 ' A' ' 18' ' ' THR . 18.4 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.542 1.812 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.724 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 66.07 24.93 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.443 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.962 ' HG2' HD21 ' A' ' 75' ' ' LEU . 3.5 ttt -77.41 113.97 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.96 -32.37 57.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.54 -177.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.553 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -148.83 -166.56 13.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.553 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -148.2 109.4 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -63.22 104.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.6 -63.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 9.6 tttt -154.59 154.5 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.1 m95 -90.05 121.54 32.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 107.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' ' 40' ' ' ALA . 19.5 mt -82.06 -10.65 59.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -124.62 157.05 36.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -112.79 166.98 10.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 64' ' ' ILE . 50.9 mt-10 -73.1 124.89 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.35 -1.86 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 166.3 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -88.84 163.24 15.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 46.4 t -142.15 143.11 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -130.17 129.47 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.2 133.33 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.39 33.21 35.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.82 140.9 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.74 114.9 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.9 mt -90.1 -50.41 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.2 p -157.11 171.17 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -105.18 116.91 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.719 HD12 HD11 ' A' ' 15' ' ' LEU . 4.1 mt -101.54 143.31 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.13 137.06 32.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 71.6 p -144.58 144.65 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -46.29 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -49.24 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.49 -166.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.8 p -81.15 106.74 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 46' ' ' THR . 12.9 m -107.09 167.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.473 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.5 m -124.16 147.8 47.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -85.94 121.69 28.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.18 149.4 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.45 145.29 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.94 -18.34 17.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -148.29 163.44 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -95.19 130.28 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.95 -179.98 44.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -97.68 135.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 88.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.7 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -146.88 173.83 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.65 82.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ILE . 38.4 t -39.1 -60.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.18 118.84 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -81.07 -178.53 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -75.56 145.08 41.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.54 -3.06 46.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.589 1.181 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.674 ' HB3' HD11 ' A' ' 73' ' ' ILE . 14.3 m -85.24 123.89 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -105.94 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m120 41.58 72.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.7 mm -110.79 89.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 157.87 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.962 HD21 ' HG2' ' A' ' 19' ' ' MET . 14.4 mt -64.42 159.56 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.96 46.03 92.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -125.17 128.43 48.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -69.94 120.19 15.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 pt -111.16 -28.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.672 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.31 153.69 24.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.45 134.84 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 10' ' ' ILE . 21.4 mt -106.46 153.59 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.6 m -140.85 131.53 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -38.76 123.2 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.82 129.09 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.06 -56.59 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.6 mt-10 -40.37 125.61 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -56.72 88.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.584 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 33.2 p-90 -56.0 -55.38 33.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 108.027 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.584 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -43.49 136.01 3.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.1 t 61.01 112.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.3 p -136.53 172.5 12.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.33 178.59 43.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 179.81 5.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.385 1.729 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.4 t -113.95 82.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -157.01 155.77 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 63.58 165.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -141.4 103.37 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 95.38 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -124.39 -54.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.949 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -54.5 -62.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.932 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . -53.83 -173.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.86 106.81 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.883 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.6 ptpp? -77.61 124.04 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 82' ' ' ILE . 63.8 mt -85.49 98.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.2 mt -91.05 141.02 29.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.7 tpp -54.25 116.51 10.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 158.39 42.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.5 p -84.52 57.12 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD12 HG21 ' A' ' 44' ' ' ILE . 36.9 mt -40.34 -58.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.466 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -81.93 151.68 67.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.56 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -135.29 50.63 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.6 ttt -103.64 147.75 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.13 -27.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.237 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -160.51 167.34 27.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -131.52 -170.05 12.53 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.509 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.31 114.0 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.324 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.07 111.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.52 -57.03 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 12.3 ttpt -153.37 146.99 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 43.5 m95 -87.54 121.51 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.7 mt -77.28 -11.5 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.8 mmtt -127.1 164.12 22.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.34 167.42 11.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HG3' HD12 ' A' ' 64' ' ' ILE . 56.4 mt-10 -72.69 120.85 18.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.68 -11.99 38.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.75 156.06 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.08 166.62 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.686 ' CG1' HD21 ' A' ' 41' ' ' LEU . 66.4 t -142.19 145.04 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 m -129.03 135.88 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.62 131.38 46.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.14 -39.21 2.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.52 142.03 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -69.99 138.88 52.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.686 HD21 ' CG1' ' A' ' 35' ' ' VAL . 20.9 mt -102.36 -52.02 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -150.0 176.65 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -105.25 115.93 31.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -92.98 131.37 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.98 134.98 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.2 p -144.22 153.15 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -42.79 -50.13 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.14 -170.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -81.63 102.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 52' ' ' THR . 4.9 t -91.81 168.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 6.3 m -122.41 145.9 47.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.881 HD12 HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -94.85 115.44 27.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.91 147.08 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.29 136.35 46.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -141.7 150.46 41.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -89.68 132.36 35.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.66 -169.26 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 34' ' ' ALA . 19.7 mm -102.24 130.66 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 87.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -54.88 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -142.93 171.86 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.654 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 70.4 mt -125.52 85.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 78' ' ' LEU . 21.9 t -38.75 -59.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.09 120.71 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -87.52 179.64 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.227 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.7 pt-20 -74.37 142.85 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.13 -11.78 31.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.527 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.71 151.93 31.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.028 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CD ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -137.2 162.71 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.476 ' OD1' ' CD ' ' A' ' 71' ' ' LYS . 24.0 m120 59.24 72.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.3 mm -111.91 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 163.75 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.04 157.01 36.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.9 34.95 83.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.571 1.169 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.1 t -114.32 144.32 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -81.98 120.41 25.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -111.58 -29.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.2 153.42 24.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.6 137.29 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.744 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 mt -114.38 150.75 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 62' ' ' ALA . 5.6 m -141.05 130.78 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.78 115.7 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HA ' ' CG1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -41.99 131.27 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.05 -33.87 4.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 156.03 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 85.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.422 ' CD1' HG21 ' A' ' 60' ' ' ILE . 32.4 p-90 -71.18 -47.75 55.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -50.53 129.4 22.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -58.01 121.87 11.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.635 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.97 121.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.5 p -111.81 97.66 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.622 1.201 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.12 177.08 41.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' SER . 18.1 Cg_endo -74.96 60.47 5.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t 66.66 -72.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' PRO . 9.7 m -46.28 155.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t 63.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -177.41 90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.04 112.2 4.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.19 -59.32 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -164.54 170.01 16.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.62 170.43 21.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.591 HD13 ' OD2' ' A' ' 57' ' ' ASP . 17.1 mt -103.38 110.44 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.855 ' HA ' HD22 ' A' ' 81' ' ' LEU . 12.7 ptpt -81.89 124.12 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 ' C ' ' A' ' 80' ' ' GLY . 6.0 mt -85.74 104.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 19.4 mt -98.71 137.99 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 35.4 tpp -49.81 117.92 7.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.748 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 171.86 17.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 58.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 44' ' ' ILE . 12.0 mt -41.27 -57.78 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.03 161.03 72.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.95 18.37 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.517 1.798 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -148.81 64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.6 ' O ' HD11 ' A' ' 75' ' ' LEU . 3.6 ttt -109.23 141.93 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.7 -27.88 8.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -155.01 166.65 32.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.22 -165.92 10.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.495 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.18 110.21 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -69.16 112.96 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.2 -56.79 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 10.4 tttt -155.97 139.92 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.442 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.3 m95 -79.98 126.22 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.4 mt -82.96 -5.03 58.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.2 mmtm -131.54 157.35 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -113.57 162.8 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.0 mt-10 -68.93 115.6 8.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.79 -10.78 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 153.64 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.41 164.93 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.629 ' CG1' HD21 ' A' ' 41' ' ' LEU . 44.9 t -142.04 145.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 16.3 m -134.17 138.27 45.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 132.33 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 -38.16 3.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.68 136.64 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.813 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -65.3 134.47 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.629 HD21 ' CG1' ' A' ' 35' ' ' VAL . 15.9 mt -99.58 -53.91 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 p -151.14 171.36 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.326 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.96 114.99 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -94.01 132.15 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.68 134.29 34.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 51' ' ' VAL . 3.2 p -142.26 145.35 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -46.12 -51.47 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -44.07 -63.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.57 -167.25 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.25 121.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 46' ' ' THR . 4.5 m -120.5 160.8 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.554 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 20.9 m -117.55 142.5 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -91.06 113.29 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.51 151.28 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -69.57 145.77 52.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -12.61 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.591 ' OD2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -157.01 167.71 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -102.89 127.51 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.26 -171.24 38.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 34' ' ' ALA . 14.7 mm -102.1 134.24 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.49 87.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -53.63 -68.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 1.4 pttt -144.18 172.51 12.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 81.7 mt -125.04 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 78' ' ' LEU . 42.1 t -39.79 -58.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 t -114.02 125.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.87 175.63 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -68.4 151.73 46.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.92 -11.76 64.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.424 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -81.38 130.91 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -109.28 178.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.5 m120 46.18 78.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 9.5 mm -107.78 85.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' ILE . 4.8 mtt-85 -36.94 154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 19' ' ' MET . 5.0 mt -67.2 155.59 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.46 59.92 5.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 79' ' ' ILE . 18.9 m -126.18 133.4 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -65.14 117.83 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' SER . 18.7 pt -111.41 -18.48 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.828 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -170.91 153.7 21.3 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.117 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.31 134.49 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.792 HG13 HD11 ' A' ' 10' ' ' ILE . 18.4 mt -110.18 150.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 62' ' ' ALA . 6.8 m -140.79 130.52 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 6.8 mt-10 -43.51 112.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -39.22 137.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.51 16.75 23.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -117.53 167.22 11.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.01 58.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 11.2 p-90 -52.97 -49.59 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 3.5 tttt -48.08 118.39 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.98 110.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.7 t -70.05 103.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.3 p -147.44 144.82 28.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.05 156.3 51.48 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 57.3 4.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.4 t -92.03 120.19 32.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 110.089 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 t 42.34 89.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.034 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 64.1 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.13 144.33 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.13 165.5 36.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.47 161.24 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t 177.29 147.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 99.3 175.12 31.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.088 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.17 106.56 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.912 ' HA ' HD22 ' A' ' 81' ' ' LEU . 2.3 ptpp? -80.82 128.29 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HD23 ' A' ' 78' ' ' LEU . 26.1 mt -88.88 113.19 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.6 mt -104.01 134.57 47.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 44' ' ' ILE . 40.0 tpp -48.79 107.41 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 157.26 43.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 p -78.78 58.35 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.811 HD11 HD12 ' A' ' 44' ' ' ILE . 3.8 mt -42.04 -32.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.415 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.6 m -123.02 152.01 62.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 109.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.722 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -74.98 133.58 16.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.722 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 65.87 25.56 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.422 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.882 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.1 ttt -78.25 125.79 29.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.2 -30.71 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -164.35 -177.26 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.14 27.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -133.77 114.0 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.339 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.12 101.13 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.8 t -59.17 -64.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.0 ttpt -156.06 160.21 39.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.685 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 48.3 m95 -96.24 125.26 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' HB1' ' A' ' 40' ' ' ALA . 38.8 mt -81.75 -16.58 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.3 mttt -122.67 153.07 39.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -105.94 164.84 11.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.26 117.2 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 114.24 -12.24 21.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 155.63 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -77.11 163.34 26.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 23.6 t -141.8 148.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.358 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.8 t -128.57 158.89 37.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.52 141.43 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.76 41.85 95.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -127.82 139.58 52.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -68.58 120.65 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.7 mt -95.77 -53.34 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.34 169.74 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.8 mt-10 -106.04 123.43 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.811 HD12 HD11 ' A' ' 15' ' ' LEU . 14.1 mt -111.98 144.04 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.63 145.44 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 2.7 p -144.53 145.55 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.367 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -40.46 -40.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -74.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.69 -162.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.56 118.8 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -117.72 167.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.7 m -119.86 147.16 45.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.377 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.14 121.55 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -100.94 153.23 19.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -87.1 151.45 23.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -104.36 -24.25 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.74 164.03 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.24 126.89 40.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.7 -175.48 36.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.696 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -106.09 133.04 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 92.56 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -57.51 -67.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -141.59 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.685 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 84.0 mt -121.65 81.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' ILE . 40.5 t -39.42 -58.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.9 t -102.05 117.19 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.89 172.26 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pp20? -72.15 150.45 43.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.34 -13.89 51.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.89 173.57 12.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.25 162.86 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.45 63.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.0 mm -102.38 96.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -63.81 174.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.882 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.3 mt -82.79 152.32 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.27 49.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -73.1 124.4 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -67.7 128.69 37.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.13 -31.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.94 24.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -115.6 130.21 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.717 ' N ' HD13 ' A' ' 81' ' ' LEU . 45.8 mt -99.96 150.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.2 m -137.99 130.18 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 87' ' ' GLU . 1.1 mt-10 -41.55 124.09 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -38.58 115.21 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.85 3.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 5.6 mm-40 -139.51 48.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.46 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 14.8 p-90 -92.86 -48.11 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER -50.02 -69.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.1 t60 69.3 95.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.39 120.46 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.72 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.945 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.34 178.68 51.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.45 40.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.3 m -84.47 132.82 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.056 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.38 96.86 2.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -142.4 -58.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -154.01 149.52 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.42 119.69 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -114.24 -57.72 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.88 166.19 4.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.6 -177.14 18.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -113.23 110.16 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.237 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 78' ' ' LEU . 7.8 ptpt -83.65 123.44 29.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 82' ' ' ILE . 4.7 mt -90.46 114.79 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.6 mt -107.31 140.84 39.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.8 tpp -49.42 115.87 5.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.635 ' HG3' HD21 ' A' ' 53' ' ' LEU . 17.8 Cg_endo -75.11 162.37 36.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -88.63 58.18 4.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 44' ' ' ILE . 12.3 mt -41.88 -60.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.32 156.51 85.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -137.43 52.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.519 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.7 ttt -98.99 143.4 29.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.86 -25.94 10.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.05 156.09 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -120.82 -168.58 13.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.499 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -153.91 110.8 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.56 107.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.98 -59.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 15.3 tttt -154.2 142.49 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -81.99 125.57 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 40' ' ' ALA . 87.6 mt -86.73 2.3 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.695 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.0 mmtm -135.99 159.92 40.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -117.08 159.11 23.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HG3' HD12 ' A' ' 64' ' ' ILE . 52.6 mt-10 -70.06 122.87 20.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.76 -8.87 43.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.63 155.72 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 110.247 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.53 165.89 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.621 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -141.95 149.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 49.6 m -129.97 142.59 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.3 39.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.72 -36.53 4.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.99 152.96 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -78.24 131.94 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.6 1.188 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.695 HD23 ' HG3' ' A' ' 29' ' ' LYS . 11.5 mt -98.67 -56.06 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.14 167.64 27.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.372 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -97.99 116.05 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.965 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -92.74 132.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.58 128.57 38.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.9 p -142.48 149.67 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.415 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -39.84 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -51.8 -57.28 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 179.07 -171.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -85.68 106.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.99 163.82 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.577 HG21 ' HB1' ' A' ' 40' ' ' ALA . 4.8 m -119.16 144.53 46.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -86.61 110.1 19.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.86 151.16 24.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -79.61 137.3 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.0 m -92.96 -29.61 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -133.46 162.81 30.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.6 121.81 42.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -166.8 -176.01 37.45 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mm -96.68 134.59 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.31 88.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -47.57 -65.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -151.33 179.49 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.662 HD12 ' HG3' ' A' ' 31' ' ' GLU . 58.8 mt -128.29 98.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.507 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 38.2 t -55.83 -55.8 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 HD12 ' A' ' 73' ' ' ILE . 62.7 t -107.62 112.59 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.97 165.05 22.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.464 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.5 pt-20 -59.92 148.13 36.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.66 57.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.7 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.7 m -84.11 125.11 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -103.79 175.26 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.8 m120 43.88 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 70' ' ' SER . 3.5 mm -120.98 86.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 19' ' ' MET . 2.5 mt -83.34 154.28 24.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.91 39.75 64.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.7 118.32 29.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.8 mt -62.49 121.43 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' VAL . 40.1 pt -110.23 -25.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.774 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -174.52 153.93 17.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.79 157.54 22.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 10' ' ' ILE . 74.5 mt -123.55 144.46 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 62' ' ' ALA . 6.9 m -127.33 131.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mt-10 -44.26 125.69 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -38.68 139.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.21 -59.09 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.69 147.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -77.03 89.86 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.413 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 36.8 p-90 -57.22 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.035 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -57.13 127.99 34.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 111.31 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.556 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.87 87.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -46.88 139.01 5.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.905 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.13 46.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.015 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 74.91 3.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.565 1.824 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.71 117.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -67.57 -58.53 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -109.26 94.59 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 0.734 . . . . 0.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -169.87 101.9 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.087 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.11 156.96 22.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -144.45 156.85 44.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.62 101.18 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 134.82 -176.12 20.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -100.23 107.33 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 81' ' ' LEU . 10.7 ptpt -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 82' ' ' ILE . 60.2 mt -76.08 106.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 9' ' ' LYS . 12.0 mt -102.08 140.6 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.44 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 41.9 tpp -55.38 112.96 4.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.04 148.41 35.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -76.45 57.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -41.79 -51.38 4.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 157.22 56.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -140.9 58.92 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.0 ttt -110.49 143.94 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.84 -25.99 9.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -157.51 -178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.0 32.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -127.97 111.96 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -66.1 102.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . 16.9 t -62.34 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 6.7 ttpp -154.1 150.89 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.505 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.7 m95 -87.64 125.29 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 107.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' HB1' ' A' ' 40' ' ' ALA . 20.8 mt -85.83 -4.47 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 13.1 mmtt -130.72 159.56 36.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.37 161.17 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 64' ' ' ILE . 41.5 mt-10 -70.24 109.77 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 60' ' ' ILE . . . 122.73 -36.22 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.152 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.64 155.05 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.14 169.26 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.645 ' CG1' HD21 ' A' ' 41' ' ' LEU . 47.8 t -142.05 146.52 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -131.74 137.13 48.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 130.45 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.82 -38.33 3.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.87 142.13 58.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -66.26 141.19 58.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.4 mt -105.5 -53.35 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -157.98 172.57 18.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.9 mt-10 -105.47 134.32 48.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.97 HD11 HD12 ' A' ' 53' ' ' LEU . 31.9 mt -123.98 142.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' ND2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -90.23 140.39 29.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 22.0 p -144.38 152.83 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -45.12 -43.35 9.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -163.09 -168.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.6 p -80.61 102.05 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 m -101.64 164.87 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.402 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.424 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 23.2 m -118.06 145.22 44.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.97 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -87.86 114.82 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.21 135.57 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.8 141.99 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.66 -38.36 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -137.8 159.83 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.87 130.85 35.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -174.23 -175.86 42.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.4 mm -108.78 127.39 65.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 88.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.686 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -52.81 -58.37 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.185 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.09 176.18 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.656 HG21 ' OE2' ' A' ' 67' ' ' GLU . 79.4 mt -129.04 82.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.7 t -39.34 -60.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 73' ' ' ILE . 11.4 t -107.85 114.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 64' ' ' ILE . 19.7 mm-40 -79.17 -174.41 4.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.3 pt-20 -79.03 151.51 31.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.39 -19.59 52.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.56 158.74 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 -156.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 47.01 56.85 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.509 HG13 HD12 ' A' ' 24' ' ' ILE . 4.5 mm -98.38 83.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -40.37 160.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 19' ' ' MET . 4.1 mt -66.07 149.11 50.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.68 54.49 13.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -113.31 147.49 37.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.1 mt -77.81 118.45 20.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.23 -32.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.5 156.26 27.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.428 1.08 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -112.1 136.42 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 81' ' ' LEU . 42.5 mt -110.89 146.18 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 62' ' ' ALA . 27.5 m -130.98 139.42 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.69 131.06 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -38.37 112.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.55 64.84 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.73 39.78 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 50.06 75.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.45 ' CD1' HG21 ' A' ' 60' ' ' ILE . 11.2 p-90 -83.96 -40.4 18.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 108.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.24 -72.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -124.66 91.79 3.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 0.0 109.565 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.39 158.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.64 121.61 2.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.87 157.51 35.71 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.438 1.086 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.5 p -95.8 103.54 15.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.6 m -74.84 161.86 29.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.61 -58.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -92.54 91.21 7.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.22 94.35 1.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m -112.93 112.81 24.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -179.05 116.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.86 -174.54 15.57 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.09 107.39 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.21 126.89 32.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 82' ' ' ILE . 14.4 mt -90.6 105.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.4 mt -98.85 143.17 29.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.0 tpp -53.64 115.42 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.99 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.428 1.752 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 p -92.08 57.41 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -41.12 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.46 150.15 50.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.06 17.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.9 p -134.32 49.32 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.452 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -111.11 132.11 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -96.42 -28.25 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -159.78 169.77 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -135.41 175.96 20.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -135.28 110.73 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -64.52 102.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.56 -60.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -156.54 147.19 21.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.556 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 56.0 m95 -84.56 126.63 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 107.97 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.652 HD12 ' HB1' ' A' ' 40' ' ' ALA . 55.1 mt -86.82 -6.17 58.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.9 mmtm -128.63 157.81 40.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -112.33 163.23 14.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 64' ' ' ILE . 38.7 mt-10 -71.56 118.29 14.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.54 30.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.58 163.78 27.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.536 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 163.85 17.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.642 ' CG1' HD21 ' A' ' 41' ' ' LEU . 22.1 t -142.11 140.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -129.5 127.61 41.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.2 134.23 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.6 42.5 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.62 111.81 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.642 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.0 mt -87.81 -54.55 4.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.4 p -155.77 168.1 28.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.84 128.62 53.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 53' ' ' LEU . 47.8 mt -115.92 141.93 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 3.7 mt-10 -84.05 138.55 33.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 p -144.34 147.87 34.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.398 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -44.34 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -59.69 -68.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.05 -167.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.4 p -85.48 96.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 52' ' ' THR . 2.6 t -90.12 168.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' HB1' ' A' ' 40' ' ' ALA . 9.7 m -118.61 144.88 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -87.98 110.64 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -86.6 149.73 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.03 139.78 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -22.4 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.58 166.72 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.09 126.97 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.39 -172.65 35.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.8 mm -103.42 133.83 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.364 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.68 88.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -52.38 -63.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.201 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.3 pttt -150.23 174.34 12.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.556 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 58.1 mt -123.45 86.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 47.3 t -39.61 -54.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.8 t -114.78 116.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.29 -175.34 3.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.4 pt-20 -82.56 146.58 29.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.71 -3.51 34.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 73' ' ' ILE . 2.1 m -86.62 155.82 20.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 164.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m120 58.56 64.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.2 mm -100.33 97.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -59.26 155.76 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.05 163.73 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.75 39.24 93.4 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -119.67 129.61 54.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.056 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -66.86 122.63 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.413 HD11 HD13 ' A' ' 53' ' ' LEU . 34.5 pt -110.68 -29.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.73 153.63 24.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.72 129.05 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 10' ' ' ILE . 27.5 mt -100.18 153.38 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG22 ' HB2' ' A' ' 62' ' ' ALA . 1.6 m -135.07 132.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -38.34 126.41 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.92 123.16 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.62 -53.35 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.96 126.27 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.04 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 32.2 p-90 -59.75 -53.19 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -90.28 137.23 32.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.73 176.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.632 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t 62.65 124.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.7 p -139.15 163.12 33.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.7 157.12 27.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 100.08 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -129.43 166.97 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.022 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 t -98.36 153.53 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.953 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m -91.31 -57.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.95 162.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.02 172.77 36.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -79.38 99.12 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 0.707 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -115.0 155.3 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.31 -174.82 9.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.07 109.25 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.874 ' HA ' HD22 ' A' ' 81' ' ' LEU . 9.8 ptpt -85.06 127.18 34.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 82' ' ' ILE . 6.5 mt -91.0 104.86 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD21 ' HG ' ' A' ' 78' ' ' LEU . 23.5 mt -100.01 143.24 30.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.411 ' SD ' HD13 ' A' ' 44' ' ' ILE . 44.2 tpp -55.44 112.06 3.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 153.87 42.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.756 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -77.4 61.32 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -48.1 -58.0 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 156.42 85.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.88 12.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.84 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -145.66 56.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.524 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -105.77 136.4 45.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.53 -29.21 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -158.54 157.96 33.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -119.67 -163.54 12.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.171 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -157.73 109.59 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -65.81 104.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.77 -58.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -158.51 145.68 17.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.633 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 60.0 m95 -82.97 129.37 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 107.929 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD12 ' HB1' ' A' ' 40' ' ' ALA . 34.5 mt -85.63 -8.44 58.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -127.16 164.1 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.39 119.86 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.512 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 108.89 -28.8 10.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 155.57 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -79.71 167.39 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 41' ' ' LEU . 43.1 t -141.84 145.68 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -132.04 137.94 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 130.47 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.76 -29.91 11.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.87 150.61 46.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -74.81 138.92 42.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 35' ' ' VAL . 14.7 mt -103.65 -53.09 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 27' ' ' TRP . 24.4 p -158.18 175.64 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.339 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.55 136.84 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 53' ' ' LEU . 38.5 mt -123.24 145.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -91.59 140.8 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.54 HG21 ' CG2' ' A' ' 51' ' ' VAL . 6.4 p -144.82 153.74 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.24 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -64.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.57 -167.99 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -86.59 102.75 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.54 ' CG2' HG21 ' A' ' 46' ' ' THR . 2.5 m -103.13 155.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.5 m -108.51 140.66 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -84.88 124.25 31.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.83 145.88 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.45 149.75 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -18.77 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.12 169.55 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 123.93 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.226 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.29 -170.03 33.34 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.54 131.17 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.28 91.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -148.73 141.58 24.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.172 . . . . 0.0 109.341 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 57.2 mt -92.1 85.13 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 57.9 t -39.33 -59.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 73' ' ' ILE . 98.2 t -107.31 110.5 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.73 -177.7 5.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -76.55 160.13 29.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.45 80.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.572 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.1 m -90.07 124.93 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -102.83 172.69 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 49.94 81.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' HB3' ' A' ' 70' ' ' SER . 4.4 mm -117.62 88.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -51.83 169.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 19' ' ' MET . 6.3 mt -78.89 162.6 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.98 35.29 82.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.177 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -111.71 122.34 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -64.16 119.21 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 pt -107.41 -28.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.77 154.02 24.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.53 130.1 56.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 81' ' ' LEU . 11.2 mt -98.68 151.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 5.9 m -139.47 135.49 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.2 mt-10 -38.95 122.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -38.77 99.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 97.92 56.5 1.07 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -144.32 65.14 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 40.32 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.512 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 21.1 p-90 -89.97 -44.42 9.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 150.5 44.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -117.8 -58.45 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.07 -64.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -84.65 168.7 15.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 137.27 172.14 12.43 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.8 29.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.66 92.77 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.96 154.93 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.051 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.092 . . . . 0.0 110.96 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -178.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.89 -56.57 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.6 4.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.21 -61.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -145.9 -58.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.89 174.01 34.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 mt -102.16 109.41 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HA ' HD22 ' A' ' 81' ' ' LEU . 17.7 ptpt -81.9 124.92 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.869 HD12 ' C ' ' A' ' 80' ' ' GLY . 5.6 mt -87.31 103.11 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.25 141.29 30.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.473 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 39.8 tpp -56.3 115.95 11.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.881 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 159.09 41.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -85.93 57.57 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 44' ' ' ILE . 56.4 mt -42.32 -51.52 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.36 163.96 40.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.71 7.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.449 1.762 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.7 p -138.86 63.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.693 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.2 ttt -108.03 131.74 54.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -24.94 13.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -162.5 154.08 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -122.3 -165.74 12.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -152.65 112.69 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.5 mp -69.9 110.75 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.211 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.7 -59.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.1 ttpp -151.92 147.74 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.528 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 51.4 m95 -87.22 121.96 30.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD12 ' HB1' ' A' ' 40' ' ' ALA . 56.9 mt -76.81 -16.64 59.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 14.5 mmtt -123.49 160.29 27.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -116.23 169.92 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.6 115.54 12.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 118.56 -40.37 2.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.27 158.66 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.41 165.4 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG11 HD21 ' A' ' 41' ' ' LEU . 21.4 t -141.86 144.1 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.4 t -125.42 161.27 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.934 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 132.36 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.87 -36.23 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.11 141.72 49.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.63 141.44 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.662 HD21 HG11 ' A' ' 35' ' ' VAL . 12.6 mt -107.08 -54.21 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -151.62 175.73 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 108.345 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -104.53 116.34 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -93.29 135.91 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -98.29 131.13 44.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -138.23 147.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.09 -47.5 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -66.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.97 -170.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.57 124.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.27 159.21 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.2 m -116.25 140.32 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -88.6 122.72 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -98.89 152.68 19.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -77.4 142.29 39.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 t -96.67 -27.33 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -138.75 155.66 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.46 131.35 34.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -173.52 -178.61 43.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -103.13 133.17 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.49 88.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -53.44 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -147.23 142.01 26.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 67.8 mt -93.61 87.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.21 -58.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.66 122.72 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.89 -179.37 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.637 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.5 pt-20 -71.39 165.82 22.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.39 11.64 79.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -94.04 107.89 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.72 159.97 15.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.33 77.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.473 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 11.1 mm -110.33 90.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ILE . 6.7 mtt180 -37.83 156.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 19' ' ' MET . 4.8 mt -67.7 156.92 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.48 51.6 3.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.7 m -111.81 138.02 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -68.6 117.69 10.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.4 pt -108.53 -25.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.869 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.23 153.92 24.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.884 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.95 129.05 55.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.584 ' N ' HD13 ' A' ' 81' ' ' LEU . 10.2 mt -102.59 151.91 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.0 m -135.77 139.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.32 125.24 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.4 107.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 58.8 1.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -146.99 58.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 42.06 79.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.554 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 50.7 p-90 -85.09 -54.0 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 3.9 tttt -61.15 110.94 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.7 -61.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.79 126.39 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 m 65.74 100.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.61 -155.15 7.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.2 p -135.01 119.29 17.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.5 p -67.77 117.84 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -138.03 -57.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.46 153.06 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.59 174.97 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -156.73 -64.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -174.69 167.04 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 115.38 161.41 13.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' ILE . 5.5 mt -94.14 110.06 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.936 ' HA ' HD22 ' A' ' 81' ' ' LEU . 3.0 ptpp? -73.02 128.69 36.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -83.01 109.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HD3' ' A' ' 9' ' ' LYS . 14.1 mt -107.89 136.65 47.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.5 tpp -50.53 106.1 0.6 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.02 152.54 40.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -77.35 59.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD11 HG13 ' A' ' 44' ' ' ILE . 81.4 mt -46.51 -29.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.3 m -124.54 156.63 67.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' C ' HG23 ' A' ' 18' ' ' THR . 18.0 Cg_endo -75.09 143.58 28.94 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 17' ' ' PRO . 1.1 p 52.2 25.41 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.886 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.9 ttt -72.98 105.64 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.21 -32.14 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -177.39 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -149.7 -164.94 12.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.494 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.66 122.72 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 79' ' ' ILE . 4.4 mt -77.37 106.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.92 -61.91 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 18.2 ttpt -152.11 159.41 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 33.4 m95 -96.44 123.14 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' HB1' ' A' ' 40' ' ' ALA . 25.9 mt -78.54 -18.31 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 41' ' ' LEU . 10.6 mttt -118.52 168.42 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -118.78 172.39 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' HD12 ' A' ' 64' ' ' ILE . 63.9 mt-10 -75.38 124.79 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.3 -13.06 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.118 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.01 160.35 31.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.775 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -81.07 166.5 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 41' ' ' LEU . 59.4 t -141.95 142.09 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.97 141.94 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.67 129.65 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 -40.84 2.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.46 146.11 36.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -79.59 135.26 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 35' ' ' VAL . 26.4 mt -99.52 -53.26 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 p -151.17 170.17 20.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -98.53 114.66 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 53' ' ' LEU . 2.7 mm -94.56 133.16 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -144.12 144.21 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.24 -41.44 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.45 -68.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 -169.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.8 p -86.37 107.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.55 166.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.5 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 5.2 m -123.72 144.7 49.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -84.99 118.69 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.15 138.96 37.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -62.72 139.63 58.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -96.69 -18.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -149.68 162.43 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.08 127.06 36.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.85 -178.54 41.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 34' ' ' ALA . 4.0 mm -103.84 132.89 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 88.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -50.32 -56.44 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.536 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.16 172.6 18.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 31' ' ' GLU . 80.2 mt -122.07 83.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.536 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 39.6 t -40.17 -60.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.34 123.21 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.45 -179.18 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pp20? -75.98 145.21 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.14 -18.38 18.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.636 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -71.67 164.88 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.984 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 153.25 41.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.39 72.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.636 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.6 mm -108.9 88.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 168.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.886 HD21 ' HG2' ' A' ' 19' ' ' MET . 10.8 mt -72.94 159.43 33.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 41.38 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -114.41 133.63 55.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.3 mt -78.32 106.6 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 24' ' ' ILE . 27.4 pt -106.73 -11.41 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.21 14.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -116.47 139.19 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.739 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.832 ' N ' HD13 ' A' ' 81' ' ' LEU . 32.9 mt -111.31 144.86 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 62' ' ' ALA . 35.8 m -133.22 130.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -39.21 127.31 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.02 125.0 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . 110.89 -53.7 0.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.6 mm-40 -38.72 125.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.9 p-90 -67.43 -50.55 58.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -53.78 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.99 134.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.3 m -140.13 -52.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -60.43 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.1 -179.04 27.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.51 29.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 t -80.47 100.19 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -41.03 157.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -112.63 112.58 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.807 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.8 ptpt -82.87 128.87 34.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 82' ' ' ILE . 14.7 mt -94.92 115.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 10' ' ' ILE . 13.1 mt -110.02 139.24 45.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 46.4 tpp -47.45 114.36 3.03 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.831 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.96 160.53 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.66 56.7 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 44' ' ' ILE . 54.8 mt -41.97 -52.33 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.32 60.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.07 8.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 p -138.55 58.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.431 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.6 ttt -106.16 136.84 45.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.09 -27.99 13.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -160.27 170.08 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -132.54 -169.25 12.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.72 110.6 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -69.65 107.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.3 -59.89 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -156.08 140.23 16.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -76.77 133.09 39.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD12 ' HB1' ' A' ' 40' ' ' ALA . 44.4 mt -91.17 -6.66 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HG3' HD23 ' A' ' 41' ' ' LEU . 16.8 mmtt -131.7 160.22 36.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -116.41 164.1 15.05 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -69.8 120.83 16.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.64 -14.78 35.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.66 156.06 27.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.22 164.81 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t -142.03 144.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.52 130.09 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.6 -40.29 2.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.83 153.49 13.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -81.32 132.83 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -98.1 -55.71 2.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 p -151.81 166.8 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.233 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.95 114.89 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.811 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -93.17 126.92 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.77 134.51 33.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.238 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -144.27 150.58 38.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -43.2 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -59.67 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.82 -173.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.6 p -87.28 105.71 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.1 157.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB1' ' A' ' 40' ' ' ALA . 7.5 m -113.58 148.69 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.831 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -91.15 110.88 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -88.91 149.45 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.1 133.9 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -89.82 -22.72 21.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.36 167.37 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.55 125.29 49.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.97 -179.16 41.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.502 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.2 mm -96.99 134.22 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.248 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 88.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.91 -65.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -152.6 176.76 11.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 74.5 mt -126.44 106.64 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 68.0 t -66.62 -52.16 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.065 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 73' ' ' ILE . 90.8 t -107.04 111.21 34.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.56 165.72 20.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -64.04 148.24 50.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -17.57 33.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -71.49 144.6 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.18 153.24 43.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.01 74.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.539 HD12 HG11 ' A' ' 66' ' ' VAL . 3.9 mm -109.25 88.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -50.51 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 19' ' ' MET . 8.0 mt -80.36 156.7 26.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.78 40.41 75.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -120.77 128.87 53.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.797 . . . . 0.0 109.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.9 mt -71.14 120.44 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.1 pt -110.77 -19.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 10' ' ' ILE . . . 177.52 156.91 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.42 157.47 23.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 10' ' ' ILE . 28.3 mt -118.75 153.47 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.1 m -135.78 133.78 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 2.4 mt-10 -47.17 125.54 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -38.72 127.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.16 -56.2 0.47 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.92 137.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.61 89.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.006 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 mt -106.44 104.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.879 ' HB2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -79.06 118.68 21.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HG13 ' A' ' 82' ' ' ILE . 11.9 mt -89.84 118.61 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD11 ' HE2' ' A' ' 9' ' ' LYS . 20.1 mt -111.3 138.27 47.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 44' ' ' ILE . 46.0 tpp -48.65 111.19 1.74 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 150.68 38.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 57.27 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.37 -55.67 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.9 159.01 79.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -134.57 54.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 46' ' ' THR . 4.2 ttt -103.59 122.01 44.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -27.99 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 2.4 pt-20 -164.92 175.9 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.06 171.82 24.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.21 20.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -72.78 103.72 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.68 -64.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 5.2 ttpt -151.97 151.84 31.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.8 120.68 29.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.014 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -76.26 -9.45 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HG3' HD23 ' A' ' 41' ' ' LEU . 4.9 mttm -125.69 157.7 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -111.6 160.1 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.92 117.3 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.54 -28.77 8.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.72 161.77 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 0.816 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.11 168.37 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.88 141.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -129.83 123.39 30.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . . . -39.44 135.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 32.31 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.53 142.62 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.708 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.09 121.33 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 29' ' ' LYS . 12.1 mt -97.32 -55.95 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.16 170.89 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -100.7 117.87 35.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -96.51 137.3 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.35 131.72 37.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.556 HG22 ' SD ' ' A' ' 19' ' ' MET . 2.5 p -138.33 158.93 43.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -25.24 65.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -67.37 -56.77 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . -179.71 -169.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.9 p -82.19 108.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.5 166.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 m -122.08 145.63 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.842 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.35 119.38 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.27 151.86 19.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.68 158.85 31.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -24.82 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.75 166.4 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.26 123.93 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.11 -167.55 29.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -108.41 138.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.512 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -65.98 90.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.92 142.36 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.512 HG13 HD22 ' A' ' 61' ' ' LEU . 59.7 mt -92.29 85.43 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -40.32 -59.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.06 106.37 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -74.67 165.81 24.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.7 pt-20 -57.83 167.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.51 -7.96 73.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.553 ' HB2' HD11 ' A' ' 73' ' ' ILE . 83.9 p -71.96 165.51 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.98 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 160.64 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.89 52.95 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 70' ' ' SER . 10.9 mm -94.8 84.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 14.5 ptt180 -53.39 178.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.9 mt -84.36 149.98 25.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.36 42.43 49.37 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 79' ' ' ILE . 1.4 m -123.86 119.96 31.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.2 mt -62.74 115.45 4.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 77' ' ' SER . 13.7 pt -104.49 -34.09 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -166.22 154.12 24.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.068 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -115.73 156.24 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.733 HG13 HD11 ' A' ' 10' ' ' ILE . 10.7 mt -122.82 140.88 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 62' ' ' ALA . 21.0 m -122.54 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.2 mt-10 -39.0 123.94 1.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 2.6 mt-10 -38.32 140.56 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.39 -57.9 1.0 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 127.67 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.46 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -96.23 108.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.232 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.886 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.87 132.53 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' HD23 ' A' ' 78' ' ' LEU . 62.2 mt -92.31 111.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.1 mt -108.38 140.37 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.407 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.9 tpp -53.32 110.99 2.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.698 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 159.41 41.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -82.31 59.57 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.935 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 44' ' ' ILE . 15.8 mt -44.4 -53.49 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -78.47 170.26 17.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -136.5 61.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.761 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -90.99 153.23 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -113.37 -15.29 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -173.35 178.1 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.45 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.13 -168.35 11.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -157.0 108.65 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.68 111.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.23 -52.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.4 tttt -160.12 153.81 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.722 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 49.8 m95 -92.9 127.76 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 31.1 mt -83.37 -14.53 52.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.6 mmtt -122.38 159.77 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -112.99 171.29 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -74.2 125.68 28.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 99.45 -13.54 61.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.05 157.38 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 0.792 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -80.81 166.56 20.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.634 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.5 t -141.84 148.25 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 5.0 m -132.77 138.38 47.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.83 129.79 43.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.17 -28.18 16.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.66 148.8 36.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -76.59 133.44 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.731 HD23 ' HG3' ' A' ' 29' ' ' LYS . 18.4 mt -96.97 -53.18 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.7 p -149.79 167.74 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -96.36 118.22 32.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -95.77 130.29 44.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 3.4 tt0 -93.91 134.12 36.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -141.98 145.58 34.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -46.91 -40.29 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -69.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.54 -169.14 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -88.48 100.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.56 155.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.571 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 9.1 m -113.4 144.47 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.452 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.18 123.66 34.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.45 144.19 31.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.9 150.9 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -22.39 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -147.17 143.24 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 124.91 28.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.05 -176.58 39.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' ALA . 5.3 mm -99.21 135.25 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 0.725 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -68.2 89.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.92 -67.63 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -149.96 142.19 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 66.0 mt -93.84 84.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' ILE . 46.6 t -40.18 -59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 24' ' ' ILE . 53.2 t -101.03 115.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.61 172.38 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.36 138.29 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.72 -2.26 15.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -88.02 157.07 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 145.57 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 71.78 79.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.6 mm -115.41 96.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.98 176.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 19' ' ' MET . 4.3 mt -86.11 153.53 22.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.88 31.22 64.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -113.72 124.67 52.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 0.816 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -67.09 118.61 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -107.58 -26.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.38 153.85 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.886 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -118.5 134.73 54.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.76 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.6 mt -105.81 150.63 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.35 143.14 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . 3.2 mt-10 -48.18 124.31 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.46 144.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.92 64.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.68 162.51 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -70.07 74.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 43.5 p-90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 108.031 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 82' ' ' ILE . 7.3 mt -103.32 107.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.3 ptpt -80.2 126.27 30.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.933 HD11 HG13 ' A' ' 82' ' ' ILE . 6.8 mt -87.6 106.88 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.0 mt -101.69 143.54 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.453 ' SD ' HD12 ' A' ' 44' ' ' ILE . 41.5 tpp -54.47 112.67 4.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.686 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.02 155.34 42.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 p -79.91 58.98 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 44' ' ' ILE . 7.4 mt -43.63 -45.91 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -90.27 157.7 44.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -75.02 -19.89 17.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.422 1.749 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 17' ' ' PRO . 80.9 p -152.68 66.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.57 ' SD ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -115.56 120.8 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -34.68 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -161.61 170.85 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.447 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -135.34 -160.78 9.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 1.4 m-80 -159.6 115.66 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.81 113.96 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 t -71.41 -58.35 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 14.0 ttpt -155.45 146.13 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.6 m95 -84.13 125.79 32.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 40' ' ' ALA . 32.4 mt -81.43 -18.18 46.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HG3' HD23 ' A' ' 41' ' ' LEU . 9.6 mmtt -119.51 162.48 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -113.12 173.17 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG3' HD12 ' A' ' 64' ' ' ILE . 58.4 mt-10 -78.07 128.37 33.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.42 -9.35 64.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.24 156.37 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -76.62 166.69 23.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.798 HG13 HD21 ' A' ' 41' ' ' LEU . 44.6 t -141.92 144.1 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.27 140.95 49.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.34 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.92 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.39 1.056 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.11 144.16 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -75.1 137.84 41.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.798 HD21 HG13 ' A' ' 35' ' ' VAL . 26.2 mt -102.26 -53.8 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -149.36 173.66 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -104.7 121.88 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.906 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -98.18 145.84 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.52 131.88 46.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' SD ' ' A' ' 19' ' ' MET . 6.4 p -138.38 145.91 41.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -34.67 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -66.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.0 -167.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -82.93 114.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.92 165.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 29.2 m -122.17 141.4 51.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.906 HD12 HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -86.66 115.7 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -94.09 148.1 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.16 141.52 49.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.06 -32.35 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.84 165.02 26.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.99 122.0 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.35 -179.11 40.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.7 mm -94.76 136.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 88.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.56 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -154.3 174.87 14.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 64' ' ' ILE . 63.7 mt -121.27 81.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.5 t -38.05 -57.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -111.92 118.79 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.11 -178.73 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 24' ' ' ILE . 2.3 pt-20 -70.45 164.07 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.33 -1.91 73.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' HD11 ' A' ' 73' ' ' ILE . 54.8 m -75.06 113.01 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.82 168.62 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 48.76 72.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.1 mm -108.47 87.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -56.82 167.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' MET . 11.5 mt -75.91 157.52 33.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.81 34.93 90.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -112.89 128.94 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.777 . . . . 0.0 109.972 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -71.05 117.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.6 pt -110.97 -23.67 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.773 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -163.24 153.78 24.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -119.12 128.63 54.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.933 HG13 HD11 ' A' ' 10' ' ' ILE . 7.9 mt -100.61 153.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.6 m -139.51 131.46 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -38.67 122.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -42.45 123.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.76 -57.95 0.5 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.0 tt0 -40.51 132.08 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -61.21 83.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.4 p-90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 108.013 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.0 mt -95.4 110.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.993 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.5 ptmt -84.0 113.81 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 82' ' ' ILE . 10.8 mt -74.57 121.18 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' HE2' ' A' ' 9' ' ' LYS . 46.8 mt -115.28 139.24 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.1 tpp -49.89 112.36 2.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.863 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 154.38 42.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 56.98 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 44' ' ' ILE . 70.7 mt -40.7 -43.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -102.6 150.35 37.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.86 21.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -139.2 52.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.9 ttt -112.94 116.88 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.88 -30.12 40.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 7.7 pt-20 -162.76 173.69 13.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -139.8 -173.98 13.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.591 1.182 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.87 119.47 6.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.03 114.73 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.36 -58.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 16.2 ttpp -152.12 143.85 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 40.7 m95 -84.31 126.34 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.045 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -84.43 -12.75 53.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.6 mmtt -123.78 161.64 24.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.94 165.96 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD12 ' A' ' 64' ' ' ILE . 49.3 mt-10 -73.3 117.52 15.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.36 -20.62 23.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.92 160.56 32.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -84.15 166.93 17.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.581 ' CG1' HD21 ' A' ' 41' ' ' LEU . 59.2 t -142.05 148.19 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -133.76 141.19 47.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.98 131.64 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.05 -33.43 5.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.0 149.86 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -79.35 143.24 35.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 29' ' ' LYS . 24.5 mt -107.84 -52.66 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 p -154.72 174.37 15.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.86 123.29 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -98.47 141.09 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 7.7 p -140.84 144.89 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -53.54 -32.35 50.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -63.48 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -171.79 -167.86 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.2 p -88.42 112.96 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.42 161.45 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.482 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 15.7 m -115.69 143.95 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.863 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -86.78 113.12 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.93 144.67 25.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.46 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.78 -18.72 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -146.37 169.86 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.38 124.43 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.96 178.34 42.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.9 mm -96.06 133.77 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 88.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.63 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' CE ' HG22 ' A' ' 65' ' ' VAL . 21.4 pttt -149.1 175.18 11.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.6 HG21 ' OE2' ' A' ' 67' ' ' GLU . 64.8 mt -123.57 84.37 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 63' ' ' LYS . 33.4 t -39.89 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -108.8 116.0 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.6 ' OE2' HG21 ' A' ' 64' ' ' ILE . 13.3 mm-40 -78.97 177.63 8.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -68.54 163.9 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.207 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.07 -8.05 68.58 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 169.53 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 161.86 40.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.94 59.28 2.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.633 1.208 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.7 mm -104.41 86.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 12.7 mtp180 -55.25 177.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 19' ' ' MET . 6.6 mt -83.26 151.27 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.91 36.9 60.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.9 t -113.86 147.38 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 0.794 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.993 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.9 mt -84.15 116.21 22.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -111.08 -31.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.99 153.74 24.4 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.67 134.46 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.763 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.8 mt -104.09 154.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.8 m -139.82 134.05 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -44.92 122.52 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.78 124.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.55 -59.08 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -41.65 129.73 3.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.554 0.797 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.5 93.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 mt -103.64 108.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.911 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.4 pttt -81.66 120.42 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.598 ' O ' HD23 ' A' ' 78' ' ' LEU . 65.5 mt -87.34 116.82 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.391 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HE2' ' A' ' 9' ' ' LYS . 21.9 mt -110.3 144.5 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' HD12 ' A' ' 44' ' ' ILE . 49.0 tpp -53.06 113.46 4.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.9 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 162.22 37.54 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' LEU . 17.3 p -90.29 56.33 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . 86.8 mt -39.51 -55.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -82.46 151.77 66.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.97 21.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.6 p -146.5 56.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.484 ' CB ' ' HB2' ' A' ' 16' ' ' SER . 4.3 ttt -112.26 122.54 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.39 -26.32 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.56 173.49 9.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -145.22 174.79 25.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.39 124.68 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.31 103.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.89 -63.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 19.7 ttpt -150.05 156.82 42.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 37.7 m95 -92.33 122.76 35.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 107.966 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD12 ' HB1' ' A' ' 40' ' ' ALA . 82.1 mt -83.75 -2.15 55.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.5 mttm -134.43 159.08 42.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -115.25 159.74 20.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.9 mt-10 -67.9 124.54 23.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.44 -20.18 32.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.67 159.61 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.29 164.61 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 38.8 t -142.13 147.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.3 t -131.81 156.85 45.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.07 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.82 43.49 96.08 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.6 142.43 51.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.67 118.11 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD23 ' HG3' ' A' ' 29' ' ' LYS . 14.6 mt -98.29 -54.55 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 52' ' ' THR . 22.7 p -151.08 170.06 20.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.32 115.67 29.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.875 HD11 HD12 ' A' ' 53' ' ' LEU . 3.1 mm -92.85 138.47 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.68 130.52 43.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 p -138.96 143.97 38.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.344 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -35.93 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -66.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 -167.95 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.1 p -87.51 106.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -112.07 165.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 42' ' ' CYS . 22.4 m -121.3 146.68 46.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -85.04 130.63 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -107.45 151.65 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -83.74 144.15 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.16 -20.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -138.14 160.04 40.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 122.3 41.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.21 176.27 41.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -90.5 139.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -70.69 90.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -54.05 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.75 173.37 12.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.41 79.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 28.6 t -38.87 -60.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 78' ' ' LEU . 85.1 t -104.03 113.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.88 -177.41 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.3 pt-20 -79.25 168.47 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.64 86.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 170.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 143.15 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.39 75.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' GLY . 6.5 mm -114.09 86.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -51.52 168.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.38 156.57 35.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.35 40.79 69.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 m -123.65 128.57 49.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 2.8 mt -69.53 119.75 14.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.81 -26.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.76 153.68 24.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -120.42 131.87 54.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.5 mt -100.93 158.13 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.6 m -139.82 132.88 35.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.57 123.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 140.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.84 65.48 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.56 159.71 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.86 86.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.059 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -105.48 110.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.26 125.5 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 82' ' ' ILE . 4.9 mt -89.8 106.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' HD3' ' A' ' 9' ' ' LYS . 17.3 mt -101.15 143.5 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 tpp -53.19 112.41 3.58 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.757 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.14 152.98 40.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.52 57.37 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 44' ' ' ILE . 62.8 mt -42.34 -51.42 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.27 161.54 51.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -30.69 6.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.1 p -139.28 61.95 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 ttt -108.97 108.28 18.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.185 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.72 -29.62 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.04 166.99 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -127.24 -166.94 12.23 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -156.29 108.34 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.36 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 t -69.08 -60.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 24.7 tttp -152.11 153.4 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -92.71 123.49 36.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' A' ' 40' ' ' ALA . 40.1 mt -76.5 -22.59 54.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.1 mttt -114.17 166.32 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.6 163.7 16.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 64' ' ' ILE . 10.0 mt-10 -69.52 115.45 8.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.84 -16.68 20.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.511 1.132 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.76 163.89 26.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 0.776 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 165.95 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.595 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -142.02 143.97 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.6 m -131.14 135.87 47.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.31 30.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.59 -39.55 2.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.37 148.69 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -76.33 137.68 40.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.595 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.2 mt -102.31 -53.47 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 52' ' ' THR . 28.8 p -153.33 175.18 13.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 108.262 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -102.37 116.68 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.883 HD11 HD12 ' A' ' 53' ' ' LEU . 4.3 mm -92.93 132.35 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 4.0 tt0 -93.25 120.45 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 HG22 ' A' ' 51' ' ' VAL . 22.8 p -130.54 148.55 52.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.39 -41.2 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -52.95 -65.3 0.58 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.72 -169.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.6 p -89.19 102.93 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 46' ' ' THR . 6.4 m -106.09 164.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.634 HG21 ' HB1' ' A' ' 40' ' ' ALA . 3.1 m -119.54 145.97 45.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 110.411 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -85.63 106.83 17.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.98 145.58 29.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -70.36 135.65 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -21.26 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.65 164.67 31.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 120.15 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.35 173.15 41.8 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.3 mm -88.69 135.41 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.417 0.716 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -49.91 -66.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.211 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HZ1' HG22 ' A' ' 65' ' ' VAL . 5.2 pttp -148.99 173.2 13.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' ILE . 77.8 mt -120.25 85.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 78' ' ' LEU . 25.0 t -39.87 -60.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -105.66 113.15 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.34 156.72 31.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.4 pt-20 -54.01 151.36 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.34 -11.46 58.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -81.44 132.64 35.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ASN . 9.3 mmtm -110.49 -177.39 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.0 m120 39.86 77.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 70' ' ' SER . 6.7 mm -112.77 88.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -53.1 171.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 mt -80.52 153.97 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.66 42.1 72.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -122.97 129.46 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.5 mt -70.09 119.05 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 pt -111.44 -25.99 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.871 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.33 153.64 24.35 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -118.71 135.2 54.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.915 HG13 HD11 ' A' ' 10' ' ' ILE . 25.0 mt -105.49 156.95 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.8 m -140.43 132.13 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.71 125.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.95 151.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.16 58.58 13.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.35 162.45 35.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -88.41 80.78 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.408 ' HB3' HG21 ' A' ' 83' ' ' VAL . 44.5 p-90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.87 114.65 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.854 ' HB2' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -87.09 125.16 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG13 ' A' ' 82' ' ' ILE . 11.5 mt -86.95 115.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' HG ' ' A' ' 78' ' ' LEU . 16.2 mt -111.33 135.55 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.451 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.5 tpp -49.28 123.79 13.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.6 Cg_endo -74.94 156.21 43.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 p -91.06 57.12 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -42.32 -61.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.98 166.36 16.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -29.72 8.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' MET . 71.2 p -137.11 25.56 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -36.83 141.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -33.53 4.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -173.33 123.41 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 -166.95 41.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -154.48 108.37 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 68' ' ' GLU . 59.3 mt -69.73 110.83 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.46 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 17.7 ttpp -154.61 154.45 33.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.531 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 38.9 m95 -89.94 128.31 36.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.076 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 40' ' ' ALA . 26.8 mt -82.95 -17.16 44.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -123.71 171.76 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -123.81 175.84 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.32 126.07 30.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.286 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.5 -10.98 63.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.64 150.19 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.74 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -69.82 163.97 24.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 24.8 t -141.87 145.12 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -131.55 133.4 45.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.58 129.39 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.93 -28.2 15.72 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.57 145.35 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -74.31 128.64 36.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 22.5 mt -90.79 -53.88 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.46 166.8 28.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.202 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -97.63 116.66 30.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -93.95 138.6 20.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.73 132.4 44.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -142.8 145.07 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -49.42 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -61.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.15 -170.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.4 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -96.99 168.0 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.591 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 3.0 m -127.29 145.19 50.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -87.05 128.19 35.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.8 143.19 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.8 140.2 58.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -31.37 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -138.53 158.6 43.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.36 129.11 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.91 -168.02 33.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.74 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -110.67 137.19 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 88.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.38 -68.96 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.4 141.5 20.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.531 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 64.7 mt -92.14 85.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.87 -59.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.17 121.91 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.77 -177.86 6.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.8 pt-20 -71.91 170.98 12.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 1.74 72.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 73' ' ' ILE . 20.3 m -86.86 107.0 18.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' CD ' ' HB3' ' A' ' 23' ' ' ASN . 3.1 mmmt -90.97 174.99 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.5 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.2 mm -113.62 92.51 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -45.96 159.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.918 HD11 ' O ' ' A' ' 19' ' ' MET . 6.8 mt -78.64 157.29 28.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.74 93.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.6 m -114.1 138.08 50.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.854 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -76.68 117.9 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 pt -107.06 -17.93 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.8 154.84 12.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.5 150.9 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 0.825 . . . . 0.0 109.348 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.702 HG13 HD11 ' A' ' 10' ' ' ILE . 21.0 mt -114.91 149.38 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -133.69 130.78 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -42.19 123.76 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.97 125.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.24 -53.78 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.2 mt-10 -43.8 120.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.21 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.433 ' N ' ' O ' ' A' ' 87' ' ' GLU . 34.6 p-90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.056 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 82' ' ' ILE . 6.0 mt -100.34 110.43 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.8 ptpt -84.69 126.03 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 82' ' ' ILE . 52.3 mt -91.06 109.77 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 9' ' ' LYS . 16.1 mt -103.38 140.93 36.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 44' ' ' ILE . 44.2 tpp -53.32 112.98 4.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.77 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 166.43 29.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 p -91.32 57.23 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 44' ' ' ILE . 74.0 mt -44.2 -47.99 9.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -85.02 157.11 60.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -129.91 53.64 1.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.7 ttt -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -26.19 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -163.15 170.67 17.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.82 177.59 19.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 121.9 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.75 115.53 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.96 -59.3 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -151.19 137.8 18.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.49 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 30.0 m95 -78.31 121.4 24.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.8 mt -80.0 -5.33 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -129.29 157.45 41.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -114.06 169.04 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.3 126.34 29.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.3 -22.06 40.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.52 168.48 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -91.43 164.09 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.516 ' CG1' HD21 ' A' ' 41' ' ' LEU . 19.9 t -142.03 137.66 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -131.75 127.0 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.92 133.51 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.09 23.27 45.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.95 139.27 52.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -66.37 117.75 9.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt -91.68 -53.72 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -152.79 175.95 12.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -104.34 117.1 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.356 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.856 HD11 HD12 ' A' ' 53' ' ' LEU . 3.0 mm -93.77 131.63 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.93 130.83 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.6 p -141.01 144.78 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -38.47 54.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -63.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.9 -163.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -94.08 104.1 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -106.22 165.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 m -118.19 145.75 44.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -89.76 117.9 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 152.28 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.92 141.96 37.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -103.03 -7.58 21.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -151.61 163.45 39.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 3.7 p-10 -102.7 132.41 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA3' HG23 ' A' ' 82' ' ' ILE . . . -175.2 -167.95 35.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.74 134.21 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 88.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.49 ' O ' ' CE3' ' A' ' 89' ' ' TRP . . . -56.83 -69.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.86 143.64 32.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.49 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 65.7 mt -95.73 87.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -42.54 -59.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -107.98 118.44 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.87 -175.03 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.56 163.8 23.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.49 -19.15 41.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.15 176.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.78 160.38 33.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.147 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.5 67.8 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.9 mm -111.15 84.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -53.04 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.98 153.21 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.43 32.12 58.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.5 m -115.5 134.18 55.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -73.27 118.85 16.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.2 pt -106.84 -29.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.78 24.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.68 129.66 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.629 ' N ' HD13 ' A' ' 81' ' ' LEU . 5.9 mt -103.45 142.74 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -123.62 141.02 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mm-40 -48.02 121.14 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' GLU . 5.1 mt-10 -38.66 129.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.64 -56.7 0.51 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.56 118.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.99 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.49 ' CE3' ' O ' ' A' ' 62' ' ' ALA . 15.3 p-90 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.433 ' HA3' HD21 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.528 0.897 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 HG22 ' A' ' 82' ' ' ILE . 14.5 mt -107.12 103.75 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HB2' HD21 ' A' ' 78' ' ' LEU . 11.3 pttt -77.0 114.25 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 82' ' ' ILE . 4.6 mt -86.0 105.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.824 HD11 ' HE3' ' A' ' 9' ' ' LYS . 32.6 mt -95.7 139.27 32.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.7 tpp -48.01 116.83 5.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.97 158.87 42.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -89.14 56.53 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 51' ' ' VAL . 71.8 mt -41.02 -45.05 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.27 154.46 40.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.42 14.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.4 p -136.15 56.58 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.2 ttt -111.03 139.74 46.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -112.38 -20.49 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -179.56 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.03 -177.45 27.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -138.75 108.31 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.48 99.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -59.4 -64.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.3 ttpp -150.29 151.76 33.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 29.7 m95 -89.62 121.65 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 ' HB1' ' A' ' 40' ' ' ALA . 28.1 mt -80.22 -3.15 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.785 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.8 mmtt -130.21 161.09 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -114.81 166.41 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.71 126.05 30.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.22 24.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.07 173.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -94.17 163.97 13.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.626 ' CG1' HD21 ' A' ' 41' ' ' LEU . 18.6 t -142.21 141.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -130.05 137.0 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 130.39 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.93 32.79 9.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.65 141.04 48.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.06 117.77 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -91.08 -53.45 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -149.89 163.83 37.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -94.21 114.86 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -92.96 142.55 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -101.92 134.76 44.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p -142.13 145.27 34.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -36.7 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -68.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.61 -169.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.6 p -84.14 112.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 15' ' ' LEU . 9.2 m -112.16 165.5 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.52 HG21 ' CB ' ' A' ' 40' ' ' ALA . 4.8 m -120.59 146.41 46.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.776 HD12 HD11 ' A' ' 44' ' ' ILE . 1.3 tt -94.02 110.06 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.6 150.79 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.69 39.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.5 -12.61 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -153.86 159.97 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.53 130.94 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.411 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -172.05 -167.95 32.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.5 mm -108.26 138.1 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -68.37 88.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.93 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -152.95 142.94 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -92.6 82.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 58.5 t -39.95 -59.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 73' ' ' ILE . 73.8 t -101.24 109.69 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 166.44 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -60.13 173.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.349 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.71 61.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.4 p -79.55 171.63 14.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -163.91 145.57 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 2.4 t-20 80.28 49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 66' ' ' VAL . 11.3 mm -89.46 89.8 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.95 163.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 19' ' ' MET . 4.4 mt -68.79 153.76 43.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.89 56.73 6.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.61 147.18 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.041 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.884 HD21 ' HB2' ' A' ' 9' ' ' LYS . 4.0 mt -80.77 112.53 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 pt -105.67 -32.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -164.47 154.3 25.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.433 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -119.25 150.03 40.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.665 HG13 HD11 ' A' ' 10' ' ' ILE . 12.5 mt -116.21 150.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.655 HG13 ' HB2' ' A' ' 62' ' ' ALA . 16.6 m -127.33 130.31 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.99 127.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 133.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.02 -57.59 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.51 108.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.329 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -40.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.432 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.7 p-90 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -105.78 107.6 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.3 ptpp? -82.89 125.61 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 82' ' ' ILE . 8.9 mt -89.61 106.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.5 mt -100.17 141.06 33.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.443 ' HE3' ' HB ' ' A' ' 73' ' ' ILE . 48.9 tpp -51.09 106.53 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.603 ' CG ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 155.27 43.07 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.59 57.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 44' ' ' ILE . 13.4 mt -40.81 -34.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -127.05 152.76 76.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.724 ' C ' HG23 ' A' ' 18' ' ' THR . 18.4 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.542 1.812 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.724 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 66.07 24.93 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.443 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.962 ' HG2' HD21 ' A' ' 75' ' ' LEU . 3.5 ttt -77.41 113.97 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.96 -32.37 57.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.54 -177.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -148.83 -166.56 13.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -148.2 109.4 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -63.22 104.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.6 -63.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 9.6 tttt -154.59 154.5 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.1 m95 -90.05 121.54 32.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 107.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' ' 40' ' ' ALA . 19.5 mt -82.06 -10.65 59.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -124.62 157.05 36.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -112.79 166.98 10.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 64' ' ' ILE . 50.9 mt-10 -73.1 124.89 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.35 -1.86 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 166.3 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -88.84 163.24 15.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 46.4 t -142.15 143.11 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -130.17 129.47 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.2 133.33 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.39 33.21 35.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.82 140.9 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.74 114.9 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.9 mt -90.1 -50.41 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.2 p -157.11 171.17 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -105.18 116.91 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.719 HD12 HD11 ' A' ' 15' ' ' LEU . 4.1 mt -101.54 143.31 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 1.2 mt-10 -91.13 137.06 32.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 71.6 p -144.58 144.65 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -46.29 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -49.24 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.49 -166.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.8 p -81.15 106.74 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 46' ' ' THR . 12.9 m -107.09 167.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.473 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.5 m -124.16 147.8 47.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -85.94 121.69 28.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.18 149.4 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.45 145.29 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.94 -18.34 17.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -148.29 163.44 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -95.19 130.28 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.95 -179.98 44.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -97.68 135.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 88.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.7 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -146.88 173.83 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.65 82.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ILE . 38.4 t -39.1 -60.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.18 118.84 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -81.07 -178.53 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -75.56 145.08 41.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.54 -3.06 46.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.589 1.181 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.674 ' HB3' HD11 ' A' ' 73' ' ' ILE . 14.3 m -85.24 123.89 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -105.94 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m120 41.58 72.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.7 mm -110.79 89.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 157.87 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.962 HD21 ' HG2' ' A' ' 19' ' ' MET . 14.4 mt -64.42 159.56 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.96 46.03 92.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -125.17 128.43 48.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -69.94 120.19 15.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 pt -111.16 -28.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.672 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.31 153.69 24.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.45 134.84 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 10' ' ' ILE . 21.4 mt -106.46 153.59 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.6 m -140.85 131.53 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -38.76 123.2 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.82 129.09 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.06 -56.59 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.6 mt-10 -40.37 125.61 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -56.72 88.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' GLU . 33.2 p-90 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 108.027 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.86 106.81 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.883 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.6 ptpp? -77.61 124.04 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 82' ' ' ILE . 63.8 mt -85.49 98.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.578 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.2 mt -91.05 141.02 29.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.7 tpp -54.25 116.51 10.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 158.39 42.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.5 p -84.52 57.12 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.75 HD12 HG21 ' A' ' 44' ' ' ILE . 36.9 mt -40.34 -58.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.466 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -81.93 151.68 67.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.56 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -135.29 50.63 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.6 ttt -103.64 147.75 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.13 -27.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.237 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -160.51 167.34 27.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -131.52 -170.05 12.53 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.31 114.0 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.324 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.07 111.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.52 -57.03 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 12.3 ttpt -153.37 146.99 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 43.5 m95 -87.54 121.51 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.7 mt -77.28 -11.5 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.8 mmtt -127.1 164.12 22.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.34 167.42 11.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HG3' HD12 ' A' ' 64' ' ' ILE . 56.4 mt-10 -72.69 120.85 18.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.68 -11.99 38.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.75 156.06 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.08 166.62 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.686 ' CG1' HD21 ' A' ' 41' ' ' LEU . 66.4 t -142.19 145.04 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 m -129.03 135.88 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.62 131.38 46.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.14 -39.21 2.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.52 142.03 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -69.99 138.88 52.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.686 HD21 ' CG1' ' A' ' 35' ' ' VAL . 20.9 mt -102.36 -52.02 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -150.0 176.65 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -105.25 115.93 31.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -92.98 131.37 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.98 134.98 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.2 p -144.22 153.15 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -42.79 -50.13 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.14 -170.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -81.63 102.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 52' ' ' THR . 4.9 t -91.81 168.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 6.3 m -122.41 145.9 47.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.881 HD12 HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -94.85 115.44 27.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.91 147.08 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.29 136.35 46.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -141.7 150.46 41.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -89.68 132.36 35.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.66 -169.26 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 34' ' ' ALA . 19.7 mm -102.24 130.66 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 87.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -54.88 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -142.93 171.86 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.654 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 70.4 mt -125.52 85.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 78' ' ' LEU . 21.9 t -38.75 -59.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.09 120.71 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -87.52 179.64 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.227 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.7 pt-20 -74.37 142.85 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.13 -11.78 31.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.527 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.71 151.93 31.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.028 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CD ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -137.2 162.71 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.476 ' OD1' ' CD ' ' A' ' 71' ' ' LYS . 24.0 m120 59.24 72.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.3 mm -111.91 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 163.75 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.04 157.01 36.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.9 34.95 83.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.571 1.169 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.1 t -114.32 144.32 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -81.98 120.41 25.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -111.58 -29.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.2 153.42 24.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.6 137.29 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.744 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 mt -114.38 150.75 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 62' ' ' ALA . 5.6 m -141.05 130.78 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.78 115.7 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HA ' ' CG1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -41.99 131.27 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.05 -33.87 4.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 156.03 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 85.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.422 ' CD1' HG21 ' A' ' 60' ' ' ILE . 32.4 p-90 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.003 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.591 HD13 ' OD2' ' A' ' 57' ' ' ASP . 17.1 mt -103.38 110.44 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.855 ' HA ' HD22 ' A' ' 81' ' ' LEU . 12.7 ptpt -81.89 124.12 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 ' C ' ' A' ' 80' ' ' GLY . 6.0 mt -85.74 104.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 19.4 mt -98.71 137.99 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 35.4 tpp -49.81 117.92 7.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.748 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 171.86 17.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 58.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 44' ' ' ILE . 12.0 mt -41.27 -57.78 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.03 161.03 72.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.95 18.37 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.517 1.798 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -148.81 64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.6 ' O ' HD11 ' A' ' 75' ' ' LEU . 3.6 ttt -109.23 141.93 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.7 -27.88 8.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -155.01 166.65 32.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.22 -165.92 10.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.18 110.21 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -69.16 112.96 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.2 -56.79 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 10.4 tttt -155.97 139.92 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.442 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.3 m95 -79.98 126.22 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.4 mt -82.96 -5.03 58.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.2 mmtm -131.54 157.35 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -113.57 162.8 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.0 mt-10 -68.93 115.6 8.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.79 -10.78 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 153.64 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.41 164.93 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.629 ' CG1' HD21 ' A' ' 41' ' ' LEU . 44.9 t -142.04 145.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 16.3 m -134.17 138.27 45.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 132.33 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 -38.16 3.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.68 136.64 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.813 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -65.3 134.47 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.629 HD21 ' CG1' ' A' ' 35' ' ' VAL . 15.9 mt -99.58 -53.91 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 p -151.14 171.36 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.326 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.96 114.99 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -94.01 132.15 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.68 134.29 34.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 51' ' ' VAL . 3.2 p -142.26 145.35 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -46.12 -51.47 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -44.07 -63.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.57 -167.25 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.25 121.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 46' ' ' THR . 4.5 m -120.5 160.8 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.554 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 20.9 m -117.55 142.5 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -91.06 113.29 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.51 151.28 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -69.57 145.77 52.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -12.61 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.591 ' OD2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -157.01 167.71 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -102.89 127.51 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.26 -171.24 38.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 34' ' ' ALA . 14.7 mm -102.1 134.24 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.49 87.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -53.63 -68.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 1.4 pttt -144.18 172.51 12.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 81.7 mt -125.04 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 78' ' ' LEU . 42.1 t -39.79 -58.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 t -114.02 125.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.87 175.63 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -68.4 151.73 46.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.92 -11.76 64.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.424 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -81.38 130.91 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -109.28 178.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 46.18 78.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 9.5 mm -107.78 85.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' ILE . 4.8 mtt-85 -36.94 154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 19' ' ' MET . 5.0 mt -67.2 155.59 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.46 59.92 5.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 79' ' ' ILE . 18.9 m -126.18 133.4 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -65.14 117.83 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' SER . 18.7 pt -111.41 -18.48 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.828 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -170.91 153.7 21.3 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.117 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.31 134.49 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.792 HG13 HD11 ' A' ' 10' ' ' ILE . 18.4 mt -110.18 150.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 62' ' ' ALA . 6.8 m -140.79 130.52 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 6.8 mt-10 -43.51 112.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -39.22 137.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.51 16.75 23.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -117.53 167.22 11.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.01 58.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.17 106.56 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.912 ' HA ' HD22 ' A' ' 81' ' ' LEU . 2.3 ptpp? -80.82 128.29 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HD23 ' A' ' 78' ' ' LEU . 26.1 mt -88.88 113.19 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.6 mt -104.01 134.57 47.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 44' ' ' ILE . 40.0 tpp -48.79 107.41 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 157.26 43.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 p -78.78 58.35 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.811 HD11 HD12 ' A' ' 44' ' ' ILE . 3.8 mt -42.04 -32.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.415 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.6 m -123.02 152.01 62.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 109.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.722 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -74.98 133.58 16.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.722 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 65.87 25.56 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.422 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.882 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.1 ttt -78.25 125.79 29.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.2 -30.71 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -164.35 -177.26 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.14 27.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -133.77 114.0 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.339 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.12 101.13 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.8 t -59.17 -64.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.0 ttpt -156.06 160.21 39.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.685 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 48.3 m95 -96.24 125.26 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' HB1' ' A' ' 40' ' ' ALA . 38.8 mt -81.75 -16.58 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.3 mttt -122.67 153.07 39.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -105.94 164.84 11.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.26 117.2 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 114.24 -12.24 21.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 155.63 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -77.11 163.34 26.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 23.6 t -141.8 148.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.358 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.8 t -128.57 158.89 37.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.52 141.43 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.76 41.85 95.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -127.82 139.58 52.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -68.58 120.65 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.7 mt -95.77 -53.34 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.34 169.74 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.8 mt-10 -106.04 123.43 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.811 HD12 HD11 ' A' ' 15' ' ' LEU . 14.1 mt -111.98 144.04 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.63 145.44 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 2.7 p -144.53 145.55 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.367 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -40.46 -40.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -74.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.69 -162.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.56 118.8 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -117.72 167.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.7 m -119.86 147.16 45.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.377 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.14 121.55 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -100.94 153.23 19.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -87.1 151.45 23.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -104.36 -24.25 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.74 164.03 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.24 126.89 40.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.7 -175.48 36.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.696 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -106.09 133.04 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 92.56 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -57.51 -67.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -141.59 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.685 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 84.0 mt -121.65 81.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' ILE . 40.5 t -39.42 -58.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.9 t -102.05 117.19 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.89 172.26 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.412 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pp20? -72.15 150.45 43.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.34 -13.89 51.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.89 173.57 12.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.25 162.86 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.45 63.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.0 mm -102.38 96.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -63.81 174.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.882 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.3 mt -82.79 152.32 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.27 49.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -73.1 124.4 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -67.7 128.69 37.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.13 -31.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.94 24.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -115.6 130.21 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.717 ' N ' HD13 ' A' ' 81' ' ' LEU . 45.8 mt -99.96 150.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.2 m -137.99 130.18 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 87' ' ' GLU . 1.1 mt-10 -41.55 124.09 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -38.58 115.21 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.85 3.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 5.6 mm-40 -139.51 48.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.46 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 14.8 p-90 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -113.23 110.16 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.237 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 78' ' ' LEU . 7.8 ptpt -83.65 123.44 29.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 82' ' ' ILE . 4.7 mt -90.46 114.79 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.6 mt -107.31 140.84 39.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.8 tpp -49.42 115.87 5.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.635 ' HG3' HD21 ' A' ' 53' ' ' LEU . 17.8 Cg_endo -75.11 162.37 36.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -88.63 58.18 4.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 44' ' ' ILE . 12.3 mt -41.88 -60.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.32 156.51 85.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -137.43 52.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.519 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.7 ttt -98.99 143.4 29.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.86 -25.94 10.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.05 156.09 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -120.82 -168.58 13.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -153.91 110.8 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.56 107.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.98 -59.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 15.3 tttt -154.2 142.49 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -81.99 125.57 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 40' ' ' ALA . 87.6 mt -86.73 2.3 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.695 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.0 mmtm -135.99 159.92 40.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -117.08 159.11 23.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HG3' HD12 ' A' ' 64' ' ' ILE . 52.6 mt-10 -70.06 122.87 20.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.76 -8.87 43.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.63 155.72 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 110.247 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.53 165.89 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.621 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -141.95 149.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 49.6 m -129.97 142.59 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.3 39.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.72 -36.53 4.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.99 152.96 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -78.24 131.94 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.6 1.188 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.695 HD23 ' HG3' ' A' ' 29' ' ' LYS . 11.5 mt -98.67 -56.06 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.14 167.64 27.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.372 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -97.99 116.05 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.965 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -92.74 132.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.58 128.57 38.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.9 p -142.48 149.67 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.415 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -39.84 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -51.8 -57.28 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 179.07 -171.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -85.68 106.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.99 163.82 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.577 HG21 ' HB1' ' A' ' 40' ' ' ALA . 4.8 m -119.16 144.53 46.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -86.61 110.1 19.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.86 151.16 24.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -79.61 137.3 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.0 m -92.96 -29.61 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -133.46 162.81 30.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.6 121.81 42.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -166.8 -176.01 37.45 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mm -96.68 134.59 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.31 88.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -47.57 -65.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.507 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -151.33 179.49 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.662 HD12 ' HG3' ' A' ' 31' ' ' GLU . 58.8 mt -128.29 98.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.507 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 38.2 t -55.83 -55.8 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 HD12 ' A' ' 73' ' ' ILE . 62.7 t -107.62 112.59 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.97 165.05 22.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.464 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.5 pt-20 -59.92 148.13 36.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.66 57.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.7 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.7 m -84.11 125.11 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -103.79 175.26 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.8 m120 43.88 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 70' ' ' SER . 3.5 mm -120.98 86.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 19' ' ' MET . 2.5 mt -83.34 154.28 24.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.91 39.75 64.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.7 118.32 29.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.8 mt -62.49 121.43 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' VAL . 40.1 pt -110.23 -25.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.774 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -174.52 153.93 17.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.79 157.54 22.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 10' ' ' ILE . 74.5 mt -123.55 144.46 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 62' ' ' ALA . 6.9 m -127.33 131.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mt-10 -44.26 125.69 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -38.68 139.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.21 -59.09 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.69 147.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -77.03 89.86 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 36.8 p-90 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.035 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -100.23 107.33 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 81' ' ' LEU . 10.7 ptpt -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 82' ' ' ILE . 60.2 mt -76.08 106.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 9' ' ' LYS . 12.0 mt -102.08 140.6 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.44 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 41.9 tpp -55.38 112.96 4.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.04 148.41 35.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -76.45 57.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -41.79 -51.38 4.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 157.22 56.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -140.9 58.92 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.0 ttt -110.49 143.94 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.84 -25.99 9.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -157.51 -178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.0 32.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -127.97 111.96 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -66.1 102.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . 16.9 t -62.34 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 6.7 ttpp -154.1 150.89 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.505 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.7 m95 -87.64 125.29 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 107.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' HB1' ' A' ' 40' ' ' ALA . 20.8 mt -85.83 -4.47 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 13.1 mmtt -130.72 159.56 36.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.37 161.17 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 64' ' ' ILE . 41.5 mt-10 -70.24 109.77 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 60' ' ' ILE . . . 122.73 -36.22 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.152 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.64 155.05 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.14 169.26 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.645 ' CG1' HD21 ' A' ' 41' ' ' LEU . 47.8 t -142.05 146.52 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -131.74 137.13 48.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 130.45 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.82 -38.33 3.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.87 142.13 58.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -66.26 141.19 58.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.645 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.4 mt -105.5 -53.35 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -157.98 172.57 18.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.9 mt-10 -105.47 134.32 48.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.97 HD11 HD12 ' A' ' 53' ' ' LEU . 31.9 mt -123.98 142.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' ND2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -90.23 140.39 29.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 22.0 p -144.38 152.83 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -45.12 -43.35 9.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -163.09 -168.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.6 p -80.61 102.05 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 m -101.64 164.87 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.402 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.424 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 23.2 m -118.06 145.22 44.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.97 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -87.86 114.82 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.21 135.57 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.8 141.99 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.66 -38.36 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -137.8 159.83 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.87 130.85 35.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -174.23 -175.86 42.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.4 mm -108.78 127.39 65.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 88.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.686 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -52.81 -58.37 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.185 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.09 176.18 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.656 HG21 ' OE2' ' A' ' 67' ' ' GLU . 79.4 mt -129.04 82.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.7 t -39.34 -60.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 73' ' ' ILE . 11.4 t -107.85 114.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 64' ' ' ILE . 19.7 mm-40 -79.17 -174.41 4.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.3 pt-20 -79.03 151.51 31.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.39 -19.59 52.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.56 158.74 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 -156.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 47.01 56.85 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.509 HG13 HD12 ' A' ' 24' ' ' ILE . 4.5 mm -98.38 83.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -40.37 160.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 19' ' ' MET . 4.1 mt -66.07 149.11 50.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.68 54.49 13.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -113.31 147.49 37.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.1 mt -77.81 118.45 20.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.23 -32.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.5 156.26 27.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.428 1.08 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -112.1 136.42 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 81' ' ' LEU . 42.5 mt -110.89 146.18 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 62' ' ' ALA . 27.5 m -130.98 139.42 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.69 131.06 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -38.37 112.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.55 64.84 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.73 39.78 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 50.06 75.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.45 ' CD1' HG21 ' A' ' 60' ' ' ILE . 11.2 p-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.09 107.39 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.21 126.89 32.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 82' ' ' ILE . 14.4 mt -90.6 105.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.509 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.4 mt -98.85 143.17 29.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.0 tpp -53.64 115.42 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.99 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.428 1.752 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 p -92.08 57.41 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -41.12 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.46 150.15 50.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.06 17.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.9 p -134.32 49.32 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.452 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -111.11 132.11 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -96.42 -28.25 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -159.78 169.77 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -135.41 175.96 20.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -135.28 110.73 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -64.52 102.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.56 -60.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -156.54 147.19 21.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.556 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 56.0 m95 -84.56 126.63 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 107.97 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.652 HD12 ' HB1' ' A' ' 40' ' ' ALA . 55.1 mt -86.82 -6.17 58.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.9 mmtm -128.63 157.81 40.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -112.33 163.23 14.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 64' ' ' ILE . 38.7 mt-10 -71.56 118.29 14.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.54 30.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.58 163.78 27.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.536 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 163.85 17.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.642 ' CG1' HD21 ' A' ' 41' ' ' LEU . 22.1 t -142.11 140.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -129.5 127.61 41.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.2 134.23 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.6 42.5 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.62 111.81 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.642 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.0 mt -87.81 -54.55 4.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.4 p -155.77 168.1 28.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.84 128.62 53.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 53' ' ' LEU . 47.8 mt -115.92 141.93 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 3.7 mt-10 -84.05 138.55 33.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 p -144.34 147.87 34.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.398 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -44.34 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -59.69 -68.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.05 -167.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.4 p -85.48 96.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 52' ' ' THR . 2.6 t -90.12 168.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' HB1' ' A' ' 40' ' ' ALA . 9.7 m -118.61 144.88 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -87.98 110.64 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -86.6 149.73 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.03 139.78 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -22.4 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.58 166.72 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.09 126.97 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.39 -172.65 35.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.8 mm -103.42 133.83 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.364 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.68 88.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -52.38 -63.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.201 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.3 pttt -150.23 174.34 12.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.556 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 58.1 mt -123.45 86.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 47.3 t -39.61 -54.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.8 t -114.78 116.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.29 -175.34 3.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.4 pt-20 -82.56 146.58 29.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.71 -3.51 34.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 73' ' ' ILE . 2.1 m -86.62 155.82 20.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 164.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m120 58.56 64.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.2 mm -100.33 97.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -59.26 155.76 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.05 163.73 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.75 39.24 93.4 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -119.67 129.61 54.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.056 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -66.86 122.63 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.413 HD11 HD13 ' A' ' 53' ' ' LEU . 34.5 pt -110.68 -29.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.73 153.63 24.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.72 129.05 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 10' ' ' ILE . 27.5 mt -100.18 153.38 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG22 ' HB2' ' A' ' 62' ' ' ALA . 1.6 m -135.07 132.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -38.34 126.41 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.92 123.16 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.62 -53.35 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.96 126.27 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.04 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' GLU . 32.2 p-90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.07 109.25 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.874 ' HA ' HD22 ' A' ' 81' ' ' LEU . 9.8 ptpt -85.06 127.18 34.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 82' ' ' ILE . 6.5 mt -91.0 104.86 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD21 ' HG ' ' A' ' 78' ' ' LEU . 23.5 mt -100.01 143.24 30.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.411 ' SD ' HD13 ' A' ' 44' ' ' ILE . 44.2 tpp -55.44 112.06 3.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 153.87 42.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.756 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -77.4 61.32 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -48.1 -58.0 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 156.42 85.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.88 12.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.84 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -145.66 56.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.524 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -105.77 136.4 45.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.53 -29.21 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -158.54 157.96 33.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -119.67 -163.54 12.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.171 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -157.73 109.59 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -65.81 104.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.77 -58.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -158.51 145.68 17.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.633 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 60.0 m95 -82.97 129.37 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 107.929 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD12 ' HB1' ' A' ' 40' ' ' ALA . 34.5 mt -85.63 -8.44 58.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -127.16 164.1 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.39 119.86 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.512 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 108.89 -28.8 10.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 155.57 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -79.71 167.39 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 41' ' ' LEU . 43.1 t -141.84 145.68 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -132.04 137.94 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 130.47 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.76 -29.91 11.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.87 150.61 46.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -74.81 138.92 42.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 35' ' ' VAL . 14.7 mt -103.65 -53.09 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 27' ' ' TRP . 24.4 p -158.18 175.64 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.339 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.55 136.84 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 53' ' ' LEU . 38.5 mt -123.24 145.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -91.59 140.8 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.54 HG21 ' CG2' ' A' ' 51' ' ' VAL . 6.4 p -144.82 153.74 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.24 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -64.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.57 -167.99 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -86.59 102.75 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.54 ' CG2' HG21 ' A' ' 46' ' ' THR . 2.5 m -103.13 155.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.5 m -108.51 140.66 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -84.88 124.25 31.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.83 145.88 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.45 149.75 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -18.77 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.12 169.55 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 123.93 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.226 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.29 -170.03 33.34 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.54 131.17 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.28 91.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -148.73 141.58 24.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.172 . . . . 0.0 109.341 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 57.2 mt -92.1 85.13 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 57.9 t -39.33 -59.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 73' ' ' ILE . 98.2 t -107.31 110.5 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.73 -177.7 5.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -76.55 160.13 29.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.45 80.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.572 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.1 m -90.07 124.93 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -102.83 172.69 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 49.94 81.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' HB3' ' A' ' 70' ' ' SER . 4.4 mm -117.62 88.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -51.83 169.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 19' ' ' MET . 6.3 mt -78.89 162.6 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.98 35.29 82.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.177 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -111.71 122.34 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -64.16 119.21 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 pt -107.41 -28.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.77 154.02 24.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.53 130.1 56.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 81' ' ' LEU . 11.2 mt -98.68 151.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 5.9 m -139.47 135.49 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.2 mt-10 -38.95 122.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -38.77 99.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 97.92 56.5 1.07 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -144.32 65.14 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 40.32 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.512 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 21.1 p-90 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 mt -102.16 109.41 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HA ' HD22 ' A' ' 81' ' ' LEU . 17.7 ptpt -81.9 124.92 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.869 HD12 ' C ' ' A' ' 80' ' ' GLY . 5.6 mt -87.31 103.11 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.25 141.29 30.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.473 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 39.8 tpp -56.3 115.95 11.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.881 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 159.09 41.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -85.93 57.57 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 44' ' ' ILE . 56.4 mt -42.32 -51.52 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.36 163.96 40.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.71 7.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.449 1.762 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.7 p -138.86 63.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.693 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.2 ttt -108.03 131.74 54.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -24.94 13.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -162.5 154.08 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -122.3 -165.74 12.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -152.65 112.69 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.5 mp -69.9 110.75 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.211 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.7 -59.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.1 ttpp -151.92 147.74 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.528 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 51.4 m95 -87.22 121.96 30.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD12 ' HB1' ' A' ' 40' ' ' ALA . 56.9 mt -76.81 -16.64 59.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 14.5 mmtt -123.49 160.29 27.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -116.23 169.92 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.6 115.54 12.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 118.56 -40.37 2.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.27 158.66 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.41 165.4 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG11 HD21 ' A' ' 41' ' ' LEU . 21.4 t -141.86 144.1 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.4 t -125.42 161.27 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.934 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 132.36 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.87 -36.23 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.11 141.72 49.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.63 141.44 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.662 HD21 HG11 ' A' ' 35' ' ' VAL . 12.6 mt -107.08 -54.21 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -151.62 175.73 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 108.345 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -104.53 116.34 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -93.29 135.91 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -98.29 131.13 44.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -138.23 147.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.09 -47.5 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -66.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.97 -170.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.57 124.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.27 159.21 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.2 m -116.25 140.32 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -88.6 122.72 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -98.89 152.68 19.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -77.4 142.29 39.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 t -96.67 -27.33 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -138.75 155.66 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.46 131.35 34.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -173.52 -178.61 43.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -103.13 133.17 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.49 88.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -53.44 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -147.23 142.01 26.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 67.8 mt -93.61 87.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.21 -58.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.66 122.72 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.89 -179.37 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.637 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.5 pt-20 -71.39 165.82 22.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.39 11.64 79.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -94.04 107.89 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.72 159.97 15.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.33 77.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.473 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 11.1 mm -110.33 90.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ILE . 6.7 mtt180 -37.83 156.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 19' ' ' MET . 4.8 mt -67.7 156.92 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.48 51.6 3.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.7 m -111.81 138.02 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -68.6 117.69 10.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.4 pt -108.53 -25.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.869 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.23 153.92 24.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.884 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.95 129.05 55.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.584 ' N ' HD13 ' A' ' 81' ' ' LEU . 10.2 mt -102.59 151.91 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.0 m -135.77 139.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.32 125.24 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.4 107.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 58.8 1.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -146.99 58.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 42.06 79.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.437 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 50.7 p-90 . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' ILE . 5.5 mt -94.14 110.06 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.936 ' HA ' HD22 ' A' ' 81' ' ' LEU . 3.0 ptpp? -73.02 128.69 36.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -83.01 109.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HD3' ' A' ' 9' ' ' LYS . 14.1 mt -107.89 136.65 47.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.5 tpp -50.53 106.1 0.6 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.02 152.54 40.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -77.35 59.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD11 HG13 ' A' ' 44' ' ' ILE . 81.4 mt -46.51 -29.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.3 m -124.54 156.63 67.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.428 ' C ' HG23 ' A' ' 18' ' ' THR . 18.0 Cg_endo -75.09 143.58 28.94 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 17' ' ' PRO . 1.1 p 52.2 25.41 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.886 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.9 ttt -72.98 105.64 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.21 -32.14 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -177.39 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -149.7 -164.94 12.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.66 122.72 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 79' ' ' ILE . 4.4 mt -77.37 106.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.92 -61.91 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 18.2 ttpt -152.11 159.41 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 33.4 m95 -96.44 123.14 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' HB1' ' A' ' 40' ' ' ALA . 25.9 mt -78.54 -18.31 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 41' ' ' LEU . 10.6 mttt -118.52 168.42 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -118.78 172.39 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' HD12 ' A' ' 64' ' ' ILE . 63.9 mt-10 -75.38 124.79 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.3 -13.06 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.118 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.01 160.35 31.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.775 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -81.07 166.5 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 41' ' ' LEU . 59.4 t -141.95 142.09 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.97 141.94 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.67 129.65 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 -40.84 2.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.46 146.11 36.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -79.59 135.26 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 35' ' ' VAL . 26.4 mt -99.52 -53.26 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 p -151.17 170.17 20.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -98.53 114.66 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 53' ' ' LEU . 2.7 mm -94.56 133.16 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -144.12 144.21 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.24 -41.44 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.45 -68.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 -169.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.8 p -86.37 107.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.55 166.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.5 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 5.2 m -123.72 144.7 49.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -84.99 118.69 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.15 138.96 37.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -62.72 139.63 58.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -96.69 -18.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -149.68 162.43 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.08 127.06 36.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.85 -178.54 41.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 34' ' ' ALA . 4.0 mm -103.84 132.89 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 88.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -50.32 -56.44 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.536 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.16 172.6 18.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 31' ' ' GLU . 80.2 mt -122.07 83.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.536 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 39.6 t -40.17 -60.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.34 123.21 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.45 -179.18 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pp20? -75.98 145.21 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.14 -18.38 18.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.636 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -71.67 164.88 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.984 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 153.25 41.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.39 72.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.636 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.6 mm -108.9 88.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 168.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.886 HD21 ' HG2' ' A' ' 19' ' ' MET . 10.8 mt -72.94 159.43 33.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 41.38 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -114.41 133.63 55.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.3 mt -78.32 106.6 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 24' ' ' ILE . 27.4 pt -106.73 -11.41 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.21 14.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -116.47 139.19 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.739 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.832 ' N ' HD13 ' A' ' 81' ' ' LEU . 32.9 mt -111.31 144.86 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 62' ' ' ALA . 35.8 m -133.22 130.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -39.21 127.31 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.02 125.0 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . 110.89 -53.7 0.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.6 mm-40 -38.72 125.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.9 p-90 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 t -143.23 135.33 26.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 0.745 . . . . 0.0 109.97 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -169.43 91.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.3 150.69 19.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -154.98 159.7 40.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -142.77 90.52 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.63 -172.16 14.97 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -112.63 112.58 41.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.807 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.8 ptpt -82.87 128.87 34.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.731 HD11 HG13 ' A' ' 82' ' ' ILE . 14.7 mt -94.92 115.96 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 10' ' ' ILE . 13.1 mt -110.02 139.24 45.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 46.4 tpp -47.45 114.36 3.03 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 111.053 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.831 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.96 160.53 40.18 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.66 56.7 3.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.545 HD12 HG21 ' A' ' 44' ' ' ILE . 54.8 mt -41.97 -52.33 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.32 60.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.029 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -29.07 8.55 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 p -138.55 58.18 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.431 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.6 ttt -106.16 136.84 45.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -98.09 -27.99 13.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -160.27 170.08 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -132.54 -169.25 12.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.557 1.161 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.493 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.72 110.6 3.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.477 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -69.65 107.24 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.3 -59.89 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.9 ttpt -156.08 140.23 16.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -76.77 133.09 39.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD12 ' HB1' ' A' ' 40' ' ' ALA . 44.4 mt -91.17 -6.66 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HG3' HD23 ' A' ' 41' ' ' LEU . 16.8 mmtt -131.7 160.22 36.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -116.41 164.1 15.05 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -69.8 120.83 16.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.64 -14.78 35.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.66 156.06 27.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.22 164.81 24.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t -142.03 144.37 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.5 m -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.963 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.52 130.09 34.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.6 -40.29 2.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.83 153.49 13.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -81.32 132.83 35.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -98.1 -55.71 2.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.8 p -151.81 166.8 30.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.233 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.95 114.89 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.811 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -93.17 126.92 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.77 134.51 33.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.238 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.3 p -144.27 150.58 38.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.386 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -43.2 72.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.21 -59.67 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.82 -173.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.6 p -87.28 105.71 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 m -110.1 157.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.505 HG21 ' HB1' ' A' ' 40' ' ' ALA . 7.5 m -113.58 148.69 35.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.831 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -91.15 110.88 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -88.91 149.45 23.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.1 133.9 42.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -89.82 -22.72 21.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.076 . . . . 0.0 110.075 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -140.36 167.37 22.3 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.55 125.29 49.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.97 -179.16 41.99 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.502 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.2 mm -96.99 134.22 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 109.248 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.74 88.88 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.635 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.91 -65.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -152.6 176.76 11.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 74.5 mt -126.44 106.64 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 68.0 t -66.62 -52.16 48.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.403 1.065 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 73' ' ' ILE . 90.8 t -107.04 111.21 34.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.56 165.72 20.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.477 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -64.04 148.24 50.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.67 -17.57 33.06 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.539 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.5 OUTLIER -71.49 144.6 49.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.972 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.18 153.24 43.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.8 m120 61.01 74.62 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.539 HD12 HG11 ' A' ' 66' ' ' VAL . 3.9 mm -109.25 88.89 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -50.51 171.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 19' ' ' MET . 8.0 mt -80.36 156.7 26.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.78 40.41 75.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.0 m -120.77 128.87 53.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.797 . . . . 0.0 109.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.9 mt -71.14 120.44 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.1 pt -110.77 -19.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 10' ' ' ILE . . . 177.52 156.91 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.42 157.47 23.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.731 HG13 HD11 ' A' ' 10' ' ' ILE . 28.3 mt -118.75 153.47 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.635 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.1 m -135.78 133.78 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.222 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 2.4 mt-10 -47.17 125.54 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -38.72 127.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.16 -56.2 0.47 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.117 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -38.92 137.18 0.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.61 89.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.411 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 48.3 p-90 -57.69 -49.1 77.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 108.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 3.5 tttm -51.53 -62.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.51 121.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 109.63 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.7 p -89.81 147.66 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t 179.57 148.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 149.83 -157.1 27.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -46.41 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.45 149.24 25.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.422 1.076 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.6 m 63.53 86.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -101.32 73.34 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.962 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p -170.98 123.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.069 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.94 73.89 0.2 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 99.59 9.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.049 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -106.48 101.72 11.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' HA3' ' CD2' ' A' ' 81' ' ' LEU . . . 144.7 -174.16 24.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 mt -106.44 104.53 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.356 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.879 ' HB2' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -79.06 118.68 21.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.733 HD11 HG13 ' A' ' 82' ' ' ILE . 11.9 mt -89.84 118.61 35.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD11 ' HE2' ' A' ' 9' ' ' LYS . 20.1 mt -111.3 138.27 47.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.482 ' SD ' HD12 ' A' ' 44' ' ' ILE . 46.0 tpp -48.65 111.19 1.74 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.63 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 150.68 38.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.02 57.27 2.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.051 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -40.37 -55.67 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.9 159.01 79.66 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -32.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.1 p -134.57 54.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.556 ' SD ' HG22 ' A' ' 46' ' ' THR . 4.2 ttt -103.59 122.01 44.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -27.99 30.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 2.4 pt-20 -164.92 175.9 9.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.06 171.82 24.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.21 20.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 mt -72.78 103.72 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.216 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.68 -64.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.359 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 5.2 ttpt -151.97 151.84 31.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 27.9 m95 -87.8 120.68 29.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 108.014 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.708 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -76.26 -9.45 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.572 ' HG3' HD23 ' A' ' 41' ' ' LEU . 4.9 mttm -125.69 157.7 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -111.6 160.1 17.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -64.92 117.3 7.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 112.54 -28.77 8.75 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.72 161.77 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 0.816 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.11 168.37 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' GLY . 44.6 t -141.88 141.46 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.7 OUTLIER -129.83 123.39 30.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . . . -39.44 135.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 32.31 49.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.452 1.095 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -122.53 142.62 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.708 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.09 121.33 15.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 29' ' ' LYS . 12.1 mt -97.32 -55.95 2.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.2 p -151.16 170.89 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 108.32 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -100.7 117.87 35.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -96.51 137.3 24.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.35 131.72 37.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.556 HG22 ' SD ' ' A' ' 19' ' ' MET . 2.5 p -138.33 158.93 43.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -25.24 65.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -67.37 -56.77 8.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . -179.71 -169.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.9 p -82.19 108.45 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.5 m -112.5 166.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 m -122.08 145.63 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.842 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -88.35 119.38 28.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -97.27 151.86 19.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.244 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.68 158.85 31.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.66 -24.82 9.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 0.0 110.047 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.75 166.4 24.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -100.26 123.93 45.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.11 -167.55 29.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.725 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -108.41 138.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.512 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -65.98 90.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.84 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -154.92 142.36 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.512 HG13 HD22 ' A' ' 61' ' ' LEU . 59.7 mt -92.29 85.43 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.1 t -40.32 -59.62 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.06 106.37 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -74.67 165.81 24.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 3.7 pt-20 -57.83 167.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.334 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.51 -7.96 73.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.553 ' HB2' HD11 ' A' ' 73' ' ' ILE . 83.9 p -71.96 165.51 24.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.98 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.75 160.64 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 m120 60.89 52.95 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 70' ' ' SER . 10.9 mm -94.8 84.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 14.5 ptt180 -53.39 178.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.418 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.9 mt -84.36 149.98 25.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.36 42.43 49.37 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.489 ' O ' HG23 ' A' ' 79' ' ' ILE . 1.4 m -123.86 119.96 31.17 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.879 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.2 mt -62.74 115.45 4.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 77' ' ' SER . 13.7 pt -104.49 -34.09 3.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -166.22 154.12 24.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.068 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD2' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -115.73 156.24 26.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.733 HG13 HD11 ' A' ' 10' ' ' ILE . 10.7 mt -122.82 140.88 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 62' ' ' ALA . 21.0 m -122.54 130.36 74.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.2 mt-10 -39.0 123.94 1.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 2.6 mt-10 -38.32 140.56 0.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 98.39 -57.9 1.0 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 127.67 2.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.46 92.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -58.5 -44.58 89.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -52.26 117.49 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -49.87 140.93 11.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.62 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.4 t -121.18 -68.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.4 t -172.4 146.33 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.79 177.24 18.77 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 59.21 5.12 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.417 1.746 . . . . 0.0 111.009 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.1 t 44.64 85.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 109.992 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.4 m -87.15 -58.97 2.39 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -142.02 -57.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.953 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 p -100.17 114.2 27.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.405 1.066 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 173.63 15.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 p -154.07 -61.18 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 0.81 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -99.21 170.72 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.06 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.412 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 117.88 164.21 13.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -96.23 108.74 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.232 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.886 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -80.87 132.53 35.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.377 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' HD23 ' A' ' 78' ' ' LEU . 62.2 mt -92.31 111.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.1 mt -108.38 140.37 41.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.407 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.9 tpp -53.32 110.99 2.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.698 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.03 159.41 41.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -82.31 59.57 4.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.935 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 44' ' ' ILE . 15.8 mt -44.4 -53.49 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -78.47 170.26 17.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.4 p -136.5 61.13 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.348 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.761 ' CG ' HD21 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -90.99 153.23 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -113.37 -15.29 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -173.35 178.1 2.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.45 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.13 -168.35 11.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -157.0 108.65 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.68 111.78 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.6 t -75.23 -52.21 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.4 tttt -160.12 153.81 22.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.722 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 49.8 m95 -92.9 127.76 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD12 ' CB ' ' A' ' 40' ' ' ALA . 31.1 mt -83.37 -14.53 52.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.731 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.6 mmtt -122.38 159.77 26.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -112.99 171.29 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -74.2 125.68 28.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.245 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 99.45 -13.54 61.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.05 157.38 31.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 0.792 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -80.81 166.56 20.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.634 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.5 t -141.84 148.25 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.468 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 5.0 m -132.77 138.38 47.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.964 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.83 129.79 43.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.17 -28.18 16.27 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.66 148.8 36.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.571 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -76.59 133.44 39.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.176 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.731 HD23 ' HG3' ' A' ' 29' ' ' LYS . 18.4 mt -96.97 -53.18 3.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.378 1.049 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.7 p -149.79 167.74 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -96.36 118.22 32.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.779 HD11 HD12 ' A' ' 53' ' ' LEU . 2.8 mm -95.77 130.29 44.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.426 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 3.4 tt0 -93.91 134.12 36.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.7 p -141.98 145.58 34.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 110.384 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -46.91 -40.29 13.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.67 -69.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.54 -169.14 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.2 p -88.48 100.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -99.56 155.88 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.571 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 9.1 m -113.4 144.47 42.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.452 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.18 123.66 34.19 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.45 144.19 31.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.9 150.9 46.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.79 -22.39 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -147.17 143.24 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.09 124.91 28.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -169.05 -176.58 39.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 34' ' ' ALA . 5.3 mm -99.21 135.25 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.432 0.725 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -68.2 89.44 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -53.92 -67.63 0.24 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -149.96 142.19 24.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.722 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 66.0 mt -93.84 84.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' ILE . 46.6 t -40.18 -59.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 24' ' ' ILE . 53.2 t -101.03 115.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.61 172.38 9.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.36 138.29 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.72 -2.26 15.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -88.02 157.07 19.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 145.57 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 71.78 79.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.6 mm -115.41 96.11 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -58.98 176.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.761 HD21 ' CG ' ' A' ' 19' ' ' MET . 4.3 mt -86.11 153.53 22.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.88 31.22 64.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.561 1.163 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 m -113.72 124.67 52.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 0.816 . . . . 0.0 109.993 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -67.09 118.61 10.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -107.58 -26.96 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.38 153.85 24.51 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.886 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -118.5 134.73 54.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.76 ' N ' HD13 ' A' ' 81' ' ' LEU . 54.6 mt -105.81 150.63 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.35 143.14 42.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' GLU . 3.2 mt-10 -48.18 124.31 7.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -38.46 144.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.92 64.63 4.01 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.68 162.51 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -70.07 74.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 43.5 p-90 -75.14 -53.29 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 108.031 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' HB3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -87.39 101.78 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -46.77 111.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.598 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.13 -58.68 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.62 -71.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 99.61 -156.04 19.79 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.68 4.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.019 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.2 p -131.51 167.98 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 110.043 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.6 m -63.57 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.98 130.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.03 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -164.78 -57.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.02 68.33 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.91 131.22 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.942 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 m -139.84 124.27 18.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.12 -176.3 32.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 82' ' ' ILE . 7.3 mt -103.32 107.23 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.3 ptpt -80.2 126.27 30.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.933 HD11 HG13 ' A' ' 82' ' ' ILE . 6.8 mt -87.6 106.88 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.0 mt -101.69 143.54 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.453 ' SD ' HD12 ' A' ' 44' ' ' ILE . 41.5 tpp -54.47 112.67 4.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.686 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.02 155.34 42.82 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 p -79.91 58.98 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 44' ' ' ILE . 7.4 mt -43.63 -45.91 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -90.27 157.7 44.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -75.02 -19.89 17.36 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.422 1.749 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' C ' ' A' ' 17' ' ' PRO . 80.9 p -152.68 66.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.57 ' SD ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -115.56 120.8 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -34.68 62.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -161.61 170.85 19.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.447 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -135.34 -160.78 9.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' ND2' ' C ' ' A' ' 22' ' ' GLY . 1.4 m-80 -159.6 115.66 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.541 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.81 113.96 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.8 t -71.41 -58.35 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 14.0 ttpt -155.45 146.13 22.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.435 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.6 m95 -84.13 125.79 32.49 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 ' HB1' ' A' ' 40' ' ' ALA . 32.4 mt -81.43 -18.18 46.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HG3' HD23 ' A' ' 41' ' ' LEU . 9.6 mmtt -119.51 162.48 18.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -113.12 173.17 6.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.506 ' HG3' HD12 ' A' ' 64' ' ' ILE . 58.4 mt-10 -78.07 128.37 33.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.42 -9.35 64.77 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.24 156.37 25.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -76.62 166.69 23.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.798 HG13 HD21 ' A' ' 41' ' ' LEU . 44.6 t -141.92 144.1 25.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.27 140.95 49.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.68 130.34 46.4 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.92 2.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.39 1.056 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.11 144.16 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -75.1 137.84 41.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.798 HD21 HG13 ' A' ' 35' ' ' VAL . 26.2 mt -102.26 -53.8 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.9 p -149.36 173.66 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 108.278 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -104.7 121.88 44.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.242 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.906 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -98.18 145.84 9.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.135 . . . . 0.0 109.345 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -100.52 131.88 46.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' SD ' ' A' ' 19' ' ' MET . 6.4 p -138.38 145.91 41.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.41 -34.67 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.1 -66.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.0 -167.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -82.93 114.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 m -112.92 165.8 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.582 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 29.2 m -122.17 141.4 51.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.906 HD12 HD11 ' A' ' 44' ' ' ILE . 0.6 OUTLIER -86.66 115.7 24.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -94.09 148.1 22.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.411 1.07 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.16 141.52 49.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.06 -32.35 13.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.053 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -134.84 165.02 26.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.99 122.0 41.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.35 -179.11 40.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.7 mm -94.76 136.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.97 88.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.757 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.56 -61.22 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -154.3 174.87 14.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 64' ' ' ILE . 63.7 mt -121.27 81.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' ILE . 36.5 t -38.05 -57.46 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.2 t -111.92 118.79 58.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -79.11 -178.73 6.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 24' ' ' ILE . 2.3 pt-20 -70.45 164.07 25.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.33 -1.91 73.95 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.413 1.071 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.66 ' HB3' HD11 ' A' ' 73' ' ' ILE . 54.8 m -75.06 113.01 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -94.82 168.62 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 48.76 72.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.1 mm -108.47 87.48 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 mtt-85 -56.82 167.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' MET . 11.5 mt -75.91 157.52 33.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.81 34.93 90.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.3 m -112.89 128.94 56.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.777 . . . . 0.0 109.972 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.706 HD21 ' HB2' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -71.05 117.3 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.6 pt -110.97 -23.67 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.773 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -163.24 153.78 24.44 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -119.12 128.63 54.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.295 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.933 HG13 HD11 ' A' ' 10' ' ' ILE . 7.9 mt -100.61 153.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' HB2' ' A' ' 62' ' ' ALA . 3.6 m -139.51 131.46 34.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -38.67 122.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -42.45 123.77 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.76 -57.95 0.5 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.0 tt0 -40.51 132.08 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -61.21 83.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.47 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 45.4 p-90 -46.91 -48.07 21.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.626 1.204 . . . . 0.0 108.013 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 1.5 tttt -53.04 128.73 28.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -66.9 170.42 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.597 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.1 t 60.54 110.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -109.64 140.17 43.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.001 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -134.82 -156.16 7.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 84.1 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 t -110.65 105.3 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -95.38 -58.1 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.984 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -94.59 -57.34 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 109.944 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m 73.44 -68.1 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.35 103.08 0.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.087 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -78.25 101.08 6.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.605 0.826 . . . . 0.0 110.014 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -145.8 107.71 4.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.034 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.67 165.56 22.13 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 15.0 mt -95.4 110.22 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.993 ' HB2' HD21 ' A' ' 78' ' ' LEU . 9.5 ptmt -84.0 113.81 21.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.648 HD11 HG13 ' A' ' 82' ' ' ILE . 10.8 mt -74.57 121.18 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.926 HD21 ' HE2' ' A' ' 9' ' ' LYS . 46.8 mt -115.28 139.24 50.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.1 tpp -49.89 112.36 2.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.863 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.01 154.38 42.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.485 1.782 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.6 56.98 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.464 HD11 HG13 ' A' ' 44' ' ' ILE . 70.7 mt -40.7 -43.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.235 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -102.6 150.35 37.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 110.045 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.86 21.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.1 p -139.2 52.96 1.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.53 ' HG2' HD21 ' A' ' 75' ' ' LEU . 1.9 ttt -112.94 116.88 30.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.88 -30.12 40.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 7.7 pt-20 -162.76 173.69 13.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -139.8 -173.98 13.49 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.591 1.182 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.87 119.47 6.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.308 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.518 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.03 114.73 11.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 t -74.36 -58.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 16.2 ttpp -152.12 143.85 23.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 40.7 m95 -84.31 126.34 33.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.045 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.638 HD12 ' HB1' ' A' ' 40' ' ' ALA . 33.7 mt -84.43 -12.75 53.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.6 mmtt -123.78 161.64 24.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -114.94 165.96 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD12 ' A' ' 64' ' ' ILE . 49.3 mt-10 -73.3 117.52 15.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 110.236 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.36 -20.62 23.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.071 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.92 160.56 32.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 0.738 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -84.15 166.93 17.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.581 ' CG1' HD21 ' A' ' 41' ' ' LEU . 59.2 t -142.05 148.19 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -133.76 141.19 47.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.554 1.159 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.98 131.64 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.05 -33.43 5.96 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.0 149.86 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.638 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -79.35 143.24 35.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 29' ' ' LYS . 24.5 mt -107.84 -52.66 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.7 p -154.72 174.37 15.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -102.86 123.29 46.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -98.47 141.09 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -96.85 131.22 43.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 7.7 p -140.84 144.89 35.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -53.54 -32.35 50.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -63.48 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -171.79 -167.86 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 50' ' ' VAL . 14.2 p -88.42 112.96 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.42 161.45 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.482 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 15.7 m -115.69 143.95 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.863 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -86.78 113.12 22.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -90.93 144.67 25.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.22 141.46 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.78 -18.72 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -146.37 169.86 17.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.38 124.43 47.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.96 178.34 42.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.9 mm -96.06 133.77 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 0.798 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.9 88.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.219 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -49.63 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' CE ' HG22 ' A' ' 65' ' ' VAL . 21.4 pttt -149.1 175.18 11.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.6 HG21 ' OE2' ' A' ' 67' ' ' GLU . 64.8 mt -123.57 84.37 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG22 ' CE ' ' A' ' 63' ' ' LYS . 33.4 t -39.89 -59.7 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 84.0 t -108.8 116.0 50.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.6 ' OE2' HG21 ' A' ' 64' ' ' ILE . 13.3 mm-40 -78.97 177.63 8.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.518 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -68.54 163.9 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.207 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.07 -8.05 68.58 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.04 169.53 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.25 161.86 40.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.94 59.28 2.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.633 1.208 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 15.7 mm -104.41 86.22 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 12.7 mtp180 -55.25 177.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 19' ' ' MET . 6.6 mt -83.26 151.27 25.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 0.0 109.357 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.91 36.9 60.96 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.9 t -113.86 147.38 38.53 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 0.794 . . . . 0.0 110.036 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.993 HD21 ' HB2' ' A' ' 9' ' ' LYS . 3.9 mt -84.15 116.21 22.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.392 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 29.9 pt -111.08 -31.57 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.99 153.74 24.4 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.906 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.67 134.46 54.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 0.809 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.763 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.8 mt -104.09 154.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 62' ' ' ALA . 15.8 m -139.82 134.05 37.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -44.92 122.52 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -39.78 124.31 1.7 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.55 -59.08 0.51 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -41.65 129.73 3.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.554 0.797 . . . . 0.0 110.334 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.5 93.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 43.8 p-90 -59.62 -46.62 88.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 107.989 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.32 100.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -45.23 -53.86 7.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.655 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.9 p -51.76 140.94 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.0 t -128.88 151.89 49.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.056 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 62.16 156.7 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 169.55 22.36 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.541 1.811 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.8 p -78.18 141.01 38.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -56.87 155.12 8.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.055 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -108.61 120.35 42.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.68 -59.22 1.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.83 -135.65 14.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t 70.58 122.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 0.727 . . . . 0.0 110.052 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -47.06 158.69 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.9 175.64 16.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 mt -103.64 108.21 24.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.911 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.4 pttt -81.66 120.42 25.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.244 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.598 ' O ' HD23 ' A' ' 78' ' ' LEU . 65.5 mt -87.34 116.82 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.391 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.695 HD11 ' HE2' ' A' ' 9' ' ' LYS . 21.9 mt -110.3 144.5 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' HD12 ' A' ' 44' ' ' ILE . 49.0 tpp -53.06 113.46 4.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.9 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 162.22 37.54 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' LEU . 17.3 p -90.29 56.33 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . 86.8 mt -39.51 -55.2 1.85 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.484 ' HB2' ' CB ' ' A' ' 19' ' ' MET . 0.7 OUTLIER -82.46 151.77 66.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -13.97 21.34 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.529 1.805 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.6 p -146.5 56.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.484 ' CB ' ' HB2' ' A' ' 16' ' ' SER . 4.3 ttt -112.26 122.54 48.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -84.39 -26.32 28.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.56 173.49 9.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -145.22 174.79 25.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.39 124.68 30.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mt -77.31 103.72 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.89 -63.41 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 19.7 ttpt -150.05 156.82 42.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 37.7 m95 -92.33 122.76 35.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 107.966 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD12 ' HB1' ' A' ' 40' ' ' ALA . 82.1 mt -83.75 -2.15 55.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB3' HD12 ' A' ' 61' ' ' LEU . 6.5 mttm -134.43 159.08 42.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -115.25 159.74 20.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.9 mt-10 -67.9 124.54 23.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.44 -20.18 32.85 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -73.67 159.61 32.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.29 164.61 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' GLY . 38.8 t -142.13 147.93 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.3 t -131.81 156.85 45.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.25 140.07 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.82 43.49 96.08 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -125.6 142.43 51.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.67 118.11 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD23 ' HG3' ' A' ' 29' ' ' LYS . 14.6 mt -98.29 -54.55 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' ' 52' ' ' THR . 22.7 p -151.08 170.06 20.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.339 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -99.32 115.67 29.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.875 HD11 HD12 ' A' ' 53' ' ' LEU . 3.1 mm -92.85 138.47 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.68 130.52 43.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 p -138.96 143.97 38.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.344 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.94 -35.93 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.92 -66.73 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.59 -167.95 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.1 p -87.51 106.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 m -112.07 165.04 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 42' ' ' CYS . 22.4 m -121.3 146.68 46.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -85.04 130.63 34.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -107.45 151.65 25.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -83.74 144.15 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.16 -20.48 15.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -138.14 160.04 40.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 122.3 41.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.21 176.27 41.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.565 1.165 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -90.5 139.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -70.69 90.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -54.05 -66.81 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.75 173.37 12.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.41 79.12 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 64' ' ' ILE . 28.6 t -38.87 -60.23 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 78' ' ' LEU . 85.1 t -104.03 113.21 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -78.88 -177.41 5.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.3 pt-20 -79.25 168.47 19.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.64 86.07 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 170.96 12.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 143.15 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.165 . . . . 0.0 109.24 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.39 75.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 22' ' ' GLY . 6.5 mm -114.09 86.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -51.52 168.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.0 mt -75.38 156.57 35.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.552 1.157 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.35 40.79 69.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.6 m -123.65 128.57 49.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 0.77 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 2.8 mt -69.53 119.75 14.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.3 pt -110.81 -26.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.76 153.68 24.46 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -120.42 131.87 54.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.679 ' N ' HD13 ' A' ' 81' ' ' LEU . 9.5 mt -100.93 158.13 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.6 m -139.82 132.88 35.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.479 1.112 . . . . 0.0 109.383 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.57 123.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 140.41 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.84 65.48 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.56 159.71 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.86 86.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 90' ' ' LYS . 40.4 p-90 -82.85 -52.3 6.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 108.059 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 89' ' ' TRP . 1.2 ptmt -78.41 138.67 38.61 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -57.75 111.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.571 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 94' ' ' GLY . 69.2 t -145.61 108.87 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.2 m -85.81 87.35 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.439 ' O ' HG12 ' A' ' 92' ' ' VAL . . . 114.66 149.29 9.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 113.93 3.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.506 1.792 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.9 t 51.65 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.0 p -79.17 100.43 7.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.986 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.088 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 p -107.67 158.81 16.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -143.69 -57.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.195 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.03 147.52 10.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -127.29 164.46 21.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.567 0.804 . . . . 0.0 109.944 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -97.62 103.1 15.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.046 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.22 176.61 41.14 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -105.48 110.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 0.79 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.878 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.26 125.5 30.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.915 HD11 HG13 ' A' ' 82' ' ' ILE . 4.9 mt -89.8 106.96 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD21 ' HD3' ' A' ' 9' ' ' LYS . 17.3 mt -101.15 143.5 31.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.246 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 45.9 tpp -53.19 112.41 3.58 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.757 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.14 152.98 40.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.956 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.52 57.37 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.639 HD12 HG21 ' A' ' 44' ' ' ILE . 62.8 mt -42.34 -51.42 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.27 161.54 51.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -30.69 6.88 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 75.1 p -139.28 61.95 1.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 ttt -108.97 108.28 18.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.597 1.185 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.72 -29.62 68.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.04 166.99 25.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.215 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -127.24 -166.94 12.23 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -156.29 108.34 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -68.36 108.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 t -69.08 -60.56 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 24.7 tttp -152.11 153.4 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -92.71 123.49 36.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.543 HD12 ' HB1' ' A' ' 40' ' ' ALA . 40.1 mt -76.5 -22.59 54.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.1 mttt -114.17 166.32 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -117.6 163.7 16.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG3' HD12 ' A' ' 64' ' ' ILE . 10.0 mt-10 -69.52 115.45 8.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.84 -16.68 20.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.511 1.132 . . . . 0.0 110.923 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.76 163.89 26.81 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 0.776 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 165.95 16.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.082 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.595 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -142.02 143.97 25.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 4.6 m -131.14 135.87 47.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -52.38 130.31 30.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.251 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.59 -39.55 2.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.37 148.69 40.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 0.796 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -76.33 137.68 40.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.595 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.2 mt -102.31 -53.47 2.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.607 ' O ' HG23 ' A' ' 52' ' ' THR . 28.8 p -153.33 175.18 13.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.427 1.079 . . . . 0.0 108.262 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -102.37 116.68 33.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.883 HD11 HD12 ' A' ' 53' ' ' LEU . 4.3 mm -92.93 132.35 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' CB ' ' HB2' ' A' ' 23' ' ' ASN . 4.0 tt0 -93.25 120.45 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.361 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.428 HG23 HG22 ' A' ' 51' ' ' VAL . 22.8 p -130.54 148.55 52.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.39 -41.2 62.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -52.95 -65.3 0.58 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 1.177 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.72 -169.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.6 p -89.19 102.93 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG22 HG23 ' A' ' 46' ' ' THR . 6.4 m -106.09 164.61 4.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.237 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.634 HG21 ' HB1' ' A' ' 40' ' ' ALA . 3.1 m -119.54 145.97 45.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.45 1.094 . . . . 0.0 110.411 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.883 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -85.63 106.83 17.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -82.98 145.58 29.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -70.36 135.65 49.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.09 -21.26 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.65 164.67 31.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.96 120.15 38.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.35 173.15 41.8 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.3 mm -88.69 135.41 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.417 0.716 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.0 88.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -49.91 -66.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.211 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HZ1' HG22 ' A' ' 65' ' ' VAL . 5.2 pttp -148.99 173.2 13.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 64' ' ' ILE . 77.8 mt -120.25 85.08 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.416 HG21 ' HB3' ' A' ' 78' ' ' LEU . 25.0 t -39.87 -60.11 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -105.66 113.15 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.34 156.72 31.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.4 pt-20 -54.01 151.36 6.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.34 -11.46 58.34 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.696 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -81.44 132.64 35.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 0.754 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' ASN . 9.3 mmtm -110.49 -177.39 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' LYS . 5.0 m120 39.86 77.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 70' ' ' SER . 6.7 mm -112.77 88.51 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 -53.1 171.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 mt -80.52 153.97 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.66 42.1 72.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -122.97 129.46 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 110.006 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.5 mt -70.09 119.05 13.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.1 pt -111.44 -25.99 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.871 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.33 153.64 24.35 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -118.71 135.2 54.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.915 HG13 HD11 ' A' ' 10' ' ' ILE . 25.0 mt -105.49 156.95 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 62' ' ' ALA . 2.8 m -140.43 132.13 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -39.71 125.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.95 151.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.16 58.58 13.31 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.416 1.072 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.35 162.45 35.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 110.333 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -88.41 80.78 7.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 44.5 p-90 -64.25 -42.21 96.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.505 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.9 OUTLIER -57.47 -59.33 5.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 63.02 128.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -123.28 113.73 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.0 p -104.93 138.05 41.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -171.03 10.16 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.424 1.077 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 97.15 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.033 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.77 113.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.051 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.58 86.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -168.76 140.78 2.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -109.58 158.29 18.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.87 -154.81 0.62 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.09 -58.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.409 0.711 . . . . 0.0 110.025 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 m -135.01 136.46 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.87 165.52 34.6 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.596 1.185 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.87 114.65 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.854 ' HB2' HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -87.09 125.16 33.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.702 HD11 HG13 ' A' ' 82' ' ' ILE . 11.5 mt -86.95 115.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD21 ' HG ' ' A' ' 78' ' ' LEU . 16.2 mt -111.33 135.55 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.451 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.5 tpp -49.28 123.79 13.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.6 Cg_endo -74.94 156.21 43.26 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.6 p -91.06 57.12 3.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -42.32 -61.02 1.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.98 166.36 16.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -29.72 8.03 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.43 1.753 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' MET . 71.2 p -137.11 25.56 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.428 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.918 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -36.83 141.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.051 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -116.24 -33.53 4.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.414 1.071 . . . . 0.0 110.279 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -173.33 123.41 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.35 -166.95 41.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -154.48 108.37 2.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.552 HG22 ' HA ' ' A' ' 68' ' ' GLU . 59.3 mt -69.73 110.83 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.46 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 17.7 ttpp -154.61 154.45 33.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.531 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 38.9 m95 -89.94 128.31 36.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 108.076 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 40' ' ' ALA . 26.8 mt -82.95 -17.16 44.56 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -123.71 171.76 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -123.81 175.84 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.32 126.07 30.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.286 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.5 -10.98 63.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.423 1.077 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.64 150.19 29.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.74 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -69.82 163.97 24.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 24.8 t -141.87 145.12 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -131.55 133.4 45.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.584 1.178 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.58 129.39 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.93 -28.2 15.72 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -74.57 145.35 43.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.777 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -74.31 128.64 36.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 22.5 mt -90.79 -53.88 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 p -149.46 166.8 28.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.202 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -97.63 116.66 30.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.595 HD11 HD12 ' A' ' 53' ' ' LEU . 4.5 mm -93.95 138.6 20.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.73 132.4 44.13 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.6 p -142.8 145.07 32.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.53 -49.42 26.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -61.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.15 -170.07 0.93 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.4 p -91.4 98.48 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 m -96.99 168.0 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.591 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 3.0 m -127.29 145.19 50.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -87.05 128.19 35.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.8 143.19 38.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.8 140.2 58.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 -31.37 14.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -138.53 158.6 43.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.36 129.11 35.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.91 -168.02 33.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.74 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -110.67 137.19 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.09 88.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.508 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.38 -68.96 0.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -153.4 141.5 20.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.531 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 64.7 mt -92.14 85.94 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.1 t -40.87 -59.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 51.5 t -107.17 121.91 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -81.77 -177.86 6.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.8 pt-20 -71.91 170.98 12.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 76.64 1.74 72.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.51 ' HB3' HD11 ' A' ' 73' ' ' ILE . 20.3 m -86.86 107.0 18.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 0.768 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' CD ' ' HB3' ' A' ' 23' ' ' ASN . 3.1 mmmt -90.97 174.99 7.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 42.5 80.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.51 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.2 mm -113.62 92.51 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -45.96 159.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.918 HD11 ' O ' ' A' ' 19' ' ' MET . 6.8 mt -78.64 157.29 28.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.74 93.51 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.6 m -114.1 138.08 50.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 0.8 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.854 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -76.68 117.9 18.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.3 pt -107.06 -17.93 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.8 154.84 12.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.5 150.9 37.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.603 0.825 . . . . 0.0 109.348 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.702 HG13 HD11 ' A' ' 10' ' ' ILE . 21.0 mt -114.91 149.38 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG13 ' HB2' ' A' ' 62' ' ' ALA . 22.3 m -133.69 130.78 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -42.19 123.76 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.97 125.79 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.338 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.24 -53.78 0.58 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.052 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.2 mt-10 -43.8 120.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.21 98.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 34.6 p-90 -76.9 -48.45 18.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.475 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -52.51 -65.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.48 -63.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 67.4 t -128.04 -62.82 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.89 108.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.2 175.04 0.26 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.122 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -53.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t -43.44 118.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.9 t -134.57 135.31 42.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t 52.09 98.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 t 59.54 92.84 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.16 152.32 23.11 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t 179.35 123.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.36 100.44 3.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.66 176.3 47.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 82' ' ' ILE . 6.0 mt -100.34 110.43 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 8.8 ptpt -84.69 126.03 33.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 82' ' ' ILE . 52.3 mt -91.06 109.77 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HD3' ' A' ' 9' ' ' LYS . 16.1 mt -103.38 140.93 36.79 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 44' ' ' ILE . 44.2 tpp -53.32 112.98 4.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.77 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.97 166.43 29.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 p -91.32 57.23 3.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.408 HD11 HG13 ' A' ' 44' ' ' ILE . 74.0 mt -44.2 -47.99 9.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HB2' ' A' ' 19' ' ' MET . 0.2 OUTLIER -85.02 157.11 60.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.036 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -37.64 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -129.91 53.64 1.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' SER . 3.7 ttt -103.81 133.81 48.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.02 -26.19 16.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' CB ' ' HA ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -163.15 170.67 17.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.257 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.82 177.59 19.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.44 121.9 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.75 115.53 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.6 t -74.96 -59.3 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -151.19 137.8 18.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.49 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 30.0 m95 -78.31 121.4 24.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.614 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.8 mt -80.0 -5.33 55.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -129.29 157.45 41.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -114.06 169.04 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -72.3 126.34 29.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.3 -22.06 40.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -64.52 168.48 5.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -91.43 164.09 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.516 ' CG1' HD21 ' A' ' 41' ' ' LEU . 19.9 t -142.03 137.66 30.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -131.75 127.0 35.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.92 133.51 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.09 23.27 45.59 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -119.95 139.27 52.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -66.37 117.75 9.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.5 mt -91.68 -53.72 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -152.79 175.95 12.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -104.34 117.1 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 110.356 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.856 HD11 HD12 ' A' ' 53' ' ' LEU . 3.0 mm -93.77 131.63 40.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -85.93 130.83 34.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.6 p -141.01 144.78 35.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.5 -38.47 54.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -63.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -170.9 -163.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -94.08 104.1 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.8 m -106.22 165.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.563 HG21 ' HB1' ' A' ' 40' ' ' ALA . 5.6 m -118.19 145.75 44.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.856 HD12 HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -89.76 117.9 28.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.1 152.28 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.92 141.96 37.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.6 m -103.03 -7.58 21.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.969 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -151.61 163.45 39.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 3.7 p-10 -102.7 132.41 48.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.598 ' HA3' HG23 ' A' ' 82' ' ' ILE . . . -175.2 -167.95 35.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.74 134.21 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.12 88.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.49 ' O ' ' CE3' ' A' ' 89' ' ' TRP . . . -56.83 -69.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -142.86 143.64 32.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 65.7 mt -95.73 87.33 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.8 t -42.54 -59.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.8 t -107.98 118.44 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.87 -175.03 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.56 163.8 23.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.49 -19.15 41.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.15 176.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.78 160.38 33.82 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.534 1.147 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 62.5 67.8 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.9 mm -111.15 84.7 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -53.04 176.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.357 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mt -83.98 153.21 24.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.43 32.12 58.19 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.143 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.5 m -115.5 134.18 55.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -73.27 118.85 16.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.2 pt -106.84 -29.37 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.78 24.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.147 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.68 129.66 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.629 ' N ' HD13 ' A' ' 81' ' ' LEU . 5.9 mt -103.45 142.74 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -123.62 141.02 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mm-40 -48.02 121.14 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' GLU . 5.1 mt-10 -38.66 129.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 105.64 -56.7 0.51 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.56 118.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.236 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.99 99.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 15.3 p-90 -71.93 -53.29 13.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.507 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -94.87 93.34 7.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -41.11 -83.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.2 m -92.01 152.67 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.9 t -144.9 -61.55 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -151.31 163.96 30.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.564 1.165 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -43.03 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.8 p -54.72 169.52 0.21 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.604 1.19 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 70.3 p -94.57 89.74 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -45.11 113.19 0.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 0.759 . . . . 0.0 109.987 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -153.88 115.77 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.95 157.97 16.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.51 -61.64 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.773 . . . . 0.0 110.07 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -133.06 154.97 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' HA3' HD21 ' A' ' 81' ' ' LEU . . . 112.42 -177.44 18.49 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 HG22 ' A' ' 82' ' ' ILE . 14.5 mt -107.12 103.75 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HB2' HD21 ' A' ' 78' ' ' LEU . 11.3 pttt -77.0 114.25 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.665 HD11 HG13 ' A' ' 82' ' ' ILE . 4.6 mt -86.0 105.43 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.171 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.824 HD11 ' HE3' ' A' ' 9' ' ' LYS . 32.6 mt -95.7 139.27 32.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.454 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 44.7 tpp -48.01 116.83 5.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.55 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -74.97 158.87 42.05 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.005 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 m -89.14 56.53 3.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 51' ' ' VAL . 71.8 mt -41.02 -45.05 2.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.235 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.27 154.46 40.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -22.42 14.8 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.537 1.809 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.4 p -136.15 56.58 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.2 ttt -111.03 139.74 46.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -112.38 -20.49 11.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.28 -179.56 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -154.03 -177.45 27.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -138.75 108.31 6.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.6 mt -65.48 99.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -59.4 -64.86 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.3 ttpp -150.29 151.76 33.45 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.575 1.172 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 29.7 m95 -89.62 121.65 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 107.973 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD12 ' HB1' ' A' ' 40' ' ' ALA . 28.1 mt -80.22 -3.15 47.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.785 ' HG3' HD23 ' A' ' 41' ' ' LEU . 8.8 mmtt -130.21 161.09 31.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -114.81 166.41 11.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -74.71 126.05 30.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.31 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.22 24.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.07 173.59 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -94.17 163.97 13.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.357 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.626 ' CG1' HD21 ' A' ' 41' ' ' LEU . 18.6 t -142.21 141.38 28.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.4 m -130.05 137.0 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.88 130.39 45.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.93 32.79 9.54 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -132.65 141.04 48.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.06 117.77 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.785 HD23 ' HG3' ' A' ' 29' ' ' LYS . 13.5 mt -91.08 -53.45 4.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -149.89 163.83 37.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -94.21 114.86 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.776 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -92.96 142.55 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -101.92 134.76 44.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p -142.13 145.27 34.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.69 -36.7 16.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -68.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -166.61 -169.09 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 50' ' ' VAL . 12.6 p -84.14 112.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 15' ' ' LEU . 9.2 m -112.16 165.5 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.52 HG21 ' CB ' ' A' ' 40' ' ' ALA . 4.8 m -120.59 146.41 46.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.776 HD12 HD11 ' A' ' 44' ' ' ILE . 1.3 tt -94.02 110.06 21.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.6 150.79 22.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.69 39.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.5 -12.61 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -153.86 159.97 42.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -94.53 130.94 40.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.411 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -172.05 -167.95 32.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.5 mm -108.26 138.1 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -68.37 88.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.655 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -51.93 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -152.95 142.94 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -92.6 82.9 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 58.5 t -39.95 -59.91 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG11 HD12 ' A' ' 73' ' ' ILE . 73.8 t -101.24 109.69 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.45 166.44 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -60.13 173.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.349 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.53 1.71 61.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.05 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.4 p -79.55 171.63 14.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 0.798 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -163.91 145.57 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 2.4 t-20 80.28 49.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.476 HD12 HG11 ' A' ' 66' ' ' VAL . 11.3 mm -89.46 89.8 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.95 163.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.433 1.083 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 19' ' ' MET . 4.4 mt -68.79 153.76 43.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.89 56.73 6.53 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.442 1.089 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.61 147.18 39.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 110.041 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.884 HD21 ' HB2' ' A' ' 9' ' ' LYS . 4.0 mt -80.77 112.53 18.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 pt -105.67 -32.22 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.616 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -164.47 154.3 25.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.433 HD21 ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -119.25 150.03 40.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.665 HG13 HD11 ' A' ' 10' ' ' ILE . 12.5 mt -116.21 150.67 18.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.655 HG13 ' HB2' ' A' ' 62' ' ' ALA . 16.6 m -127.33 130.31 70.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.227 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -38.99 127.21 1.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 110.238 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -39.31 133.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 110.281 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.02 -57.59 0.8 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.51 108.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.329 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -40.88 98.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.495 ' CZ2' ' HG3' ' A' ' 90' ' ' LYS . 45.7 p-90 -65.81 -52.16 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 89' ' ' TRP . 0.4 OUTLIER -50.85 164.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -41.58 131.99 2.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.613 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 8.8 p -92.48 150.59 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.42 88.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -166.71 -159.63 12.68 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.408 1.068 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 86.68 1.38 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.77 142.52 22.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.39 168.66 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.565 1.166 . . . . 0.0 110.992 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.75 157.32 1.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 0.765 . . . . 0.0 109.946 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 59.48 169.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.25 72.7 1.03 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 t -113.4 94.1 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 0.712 . . . . 0.0 109.985 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.97 175.05 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.072 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.36 -175.22 16.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.072 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 mt -105.78 107.6 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.242 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.877 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.3 ptpp? -82.89 125.61 31.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.729 HD11 HG13 ' A' ' 82' ' ' ILE . 8.9 mt -89.61 106.94 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 HD21 ' HD3' ' A' ' 9' ' ' LYS . 13.5 mt -100.17 141.06 33.51 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.443 ' HE3' ' HB ' ' A' ' 73' ' ' ILE . 48.9 tpp -51.09 106.53 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.603 ' CG ' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 155.27 43.07 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -76.59 57.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.048 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 44' ' ' ILE . 13.4 mt -40.81 -34.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.6 m -127.05 152.76 76.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.724 ' C ' HG23 ' A' ' 18' ' ' THR . 18.4 Cg_endo -74.96 135.01 18.59 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.542 1.812 . . . . 0.0 111.055 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.724 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 66.07 24.93 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.443 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.962 ' HG2' HD21 ' A' ' 75' ' ' LEU . 3.5 ttt -77.41 113.97 15.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.96 -32.37 57.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -172.54 -177.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -148.83 -166.56 13.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.5 OUTLIER -148.2 109.4 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.523 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -63.22 104.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.6 -63.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 9.6 tttt -154.59 154.5 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.477 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.1 m95 -90.05 121.54 32.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 107.939 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' ' 40' ' ' ALA . 19.5 mt -82.06 -10.65 59.14 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.423 1.077 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.8 mmtt -124.62 157.05 36.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -112.79 166.98 10.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 64' ' ' ILE . 50.9 mt-10 -73.1 124.89 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.35 -1.86 56.11 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.5 166.3 15.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 0.736 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -88.84 163.24 15.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 59' ' ' GLY . 46.4 t -142.15 143.11 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -130.17 129.47 43.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.2 133.33 6.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.39 33.21 35.9 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -122.82 140.9 52.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.74 114.9 6.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD23 ' HG3' ' A' ' 29' ' ' LYS . 15.9 mt -90.1 -50.41 6.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.2 p -157.11 171.17 20.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -105.18 116.91 32.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.719 HD12 HD11 ' A' ' 15' ' ' LEU . 4.1 mt -101.54 143.31 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 1.2 mt-10 -91.13 137.06 32.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 51' ' ' VAL . 71.6 p -144.58 144.65 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.86 -46.29 7.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -49.24 -69.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -170.49 -166.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.8 p -81.15 106.74 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG21 HG21 ' A' ' 46' ' ' THR . 12.9 m -107.09 167.85 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.473 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.5 m -124.16 147.8 47.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -85.94 121.69 28.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.18 149.4 23.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.45 145.29 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.94 -18.34 17.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -148.29 163.44 37.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -95.19 130.28 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.388 1.055 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -172.95 -179.98 44.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -97.68 135.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 0.759 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 88.98 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -50.7 -66.24 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -146.88 173.83 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.558 HG22 ' O ' ' A' ' 64' ' ' ILE . 64.1 mt -121.65 82.51 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 64' ' ' ILE . 38.4 t -39.1 -60.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.7 t -107.18 118.84 55.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -81.07 -178.53 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.2 pt-20 -75.56 145.08 41.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.54 -3.06 46.14 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.589 1.181 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.674 ' HB3' HD11 ' A' ' 73' ' ' ILE . 14.3 m -85.24 123.89 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.972 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -105.94 -179.09 3.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.4 m120 41.58 72.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.351 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.674 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.7 mm -110.79 89.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 157.87 5.37 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.962 HD21 ' HG2' ' A' ' 19' ' ' MET . 14.4 mt -64.42 159.56 21.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.96 46.03 92.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.1 m -125.17 128.43 48.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -69.94 120.19 15.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 109.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.6 pt -111.16 -28.67 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.672 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.31 153.69 24.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.45 134.84 54.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.729 HG13 HD11 ' A' ' 10' ' ' ILE . 21.4 mt -106.46 153.59 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' HB2' ' A' ' 62' ' ' ALA . 4.6 m -140.85 131.53 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -38.76 123.2 1.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.82 129.09 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 107.06 -56.59 0.48 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 89' ' ' TRP . 1.6 mt-10 -40.37 125.61 2.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.779 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -56.72 88.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.584 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 33.2 p-90 -56.0 -55.38 33.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 108.027 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.584 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -43.49 136.01 3.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.27 165.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.584 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.1 t 61.01 112.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.3 p -136.53 172.5 12.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -171.33 178.59 43.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 179.81 5.73 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.385 1.729 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.4 t -113.95 82.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.1 p -157.01 155.77 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 63.58 165.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -141.4 103.37 4.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.5 95.38 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -124.39 -54.47 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.949 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -54.5 -62.51 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.932 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . -53.83 -173.14 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.86 106.81 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.883 ' HA ' HD22 ' A' ' 81' ' ' LEU . 1.6 ptpp? -77.61 124.04 27.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.378 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 82' ' ' ILE . 63.8 mt -85.49 98.99 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.578 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.2 mt -91.05 141.02 29.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.085 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.46 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.7 tpp -54.25 116.51 10.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.95 158.39 42.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.5 p -84.52 57.12 4.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.75 HD12 HG21 ' A' ' 44' ' ' ILE . 36.9 mt -40.34 -58.15 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.466 ' HB3' ' CB ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -81.93 151.68 67.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -25.56 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.0 p -135.29 50.63 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 16' ' ' SER . 3.6 ttt -103.64 147.75 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -110.13 -27.95 8.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.237 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -160.51 167.34 27.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -131.52 -170.05 12.53 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.509 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.31 114.0 3.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 0.796 . . . . 0.0 109.324 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -72.07 111.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.401 1.063 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.0 t -72.52 -57.03 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 12.3 ttpt -153.37 146.99 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.654 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 43.5 m95 -87.54 121.51 30.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 41' ' ' LEU . 38.7 mt -77.28 -11.5 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.8 mmtt -127.1 164.12 22.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.34 167.42 11.57 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HG3' HD12 ' A' ' 64' ' ' ILE . 56.4 mt-10 -72.69 120.85 18.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 107.68 -11.99 38.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.75 156.06 23.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 0.74 . . . . 0.0 110.271 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.616 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -78.08 166.62 22.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.686 ' CG1' HD21 ' A' ' 41' ' ' LEU . 66.4 t -142.19 145.04 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 3.1 m -129.03 135.88 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.62 131.38 46.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.14 -39.21 2.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.448 1.093 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.52 142.03 58.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.609 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -69.99 138.88 52.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.686 HD21 ' CG1' ' A' ' 35' ' ' VAL . 20.9 mt -102.36 -52.02 3.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -150.0 176.65 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.317 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -105.25 115.93 31.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.881 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -92.98 131.37 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.98 134.98 34.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 42.2 p -144.22 153.15 41.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.451 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -42.79 -50.13 5.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -49.7 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.14 -170.74 3.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.51 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -81.63 102.53 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' ' 52' ' ' THR . 4.9 t -91.81 168.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.609 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 6.3 m -122.41 145.9 47.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.881 HD12 HD11 ' A' ' 44' ' ' ILE . 0.9 OUTLIER -94.85 115.44 27.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -89.91 147.08 23.95 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -72.29 136.35 46.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 110.046 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -141.7 150.46 41.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -89.68 132.36 35.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.254 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.66 -169.26 36.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.15 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 HD13 ' HA ' ' A' ' 34' ' ' ALA . 19.7 mm -102.24 130.66 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 87.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -54.88 -68.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.8 OUTLIER -142.93 171.86 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.297 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.654 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 70.4 mt -125.52 85.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG21 ' HB3' ' A' ' 78' ' ' LEU . 21.9 t -38.75 -59.63 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.1 t -107.09 120.71 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -87.52 179.64 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.227 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.441 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 2.7 pt-20 -74.37 142.85 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 110.13 -11.78 31.52 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.527 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.71 151.93 31.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.028 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' CD ' ' OD1' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -137.2 162.71 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.476 ' OD1' ' CD ' ' A' ' 71' ' ' LYS . 24.0 m120 59.24 72.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 70' ' ' SER . 5.3 mm -111.91 98.92 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 163.75 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.04 157.01 36.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.9 34.95 83.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.571 1.169 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 11' ' ' LEU . 2.1 t -114.32 144.32 43.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.806 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -81.98 120.41 25.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -111.58 -29.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -162.2 153.42 24.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.883 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.6 137.29 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.743 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.744 ' N ' HD13 ' A' ' 81' ' ' LEU . 8.5 mt -114.38 150.75 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 62' ' ' ALA . 5.6 m -141.05 130.78 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -42.78 115.7 0.77 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' HA ' ' CG1' ' A' ' 60' ' ' ILE . 0.2 OUTLIER -41.99 131.27 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.385 1.053 . . . . 0.0 110.262 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.05 -33.87 4.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.23 156.03 36.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 85.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.422 ' CD1' HG21 ' A' ' 60' ' ' ILE . 32.4 p-90 -71.18 -47.75 55.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.003 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -50.53 129.4 22.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 10.6 p-80 -58.01 121.87 11.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.635 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 p -63.97 121.73 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.5 p -111.81 97.66 6.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.622 1.201 . . . . 0.0 109.991 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 172.12 177.08 41.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 97' ' ' SER . 18.1 Cg_endo -74.96 60.47 5.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t 66.66 -72.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.97 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 95' ' ' PRO . 9.7 m -46.28 155.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.44 1.087 . . . . 0.0 111.002 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t 63.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.994 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -177.41 90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.992 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.04 112.2 4.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.19 -59.32 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 p -164.54 170.01 16.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.62 170.43 21.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.417 1.073 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.591 HD13 ' OD2' ' A' ' 57' ' ' ASP . 17.1 mt -103.38 110.44 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.855 ' HA ' HD22 ' A' ' 81' ' ' LEU . 12.7 ptpt -81.89 124.12 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 ' C ' ' A' ' 80' ' ' GLY . 6.0 mt -85.74 104.39 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 9' ' ' LYS . 19.4 mt -98.71 137.99 36.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.477 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 35.4 tpp -49.81 117.92 7.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.748 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 171.86 17.49 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 58.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.461 HD12 HG21 ' A' ' 44' ' ' ILE . 12.0 mt -41.27 -57.78 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.03 161.03 72.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.95 18.37 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.517 1.798 . . . . 0.0 111.067 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.2 p -148.81 64.06 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.6 ' O ' HD11 ' A' ' 75' ' ' LEU . 3.6 ttt -109.23 141.93 40.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.7 -27.88 8.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -155.01 166.65 32.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -138.22 -165.92 10.49 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.495 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -154.18 110.21 3.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.57 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -69.16 112.96 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.2 -56.79 8.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 10.4 tttt -155.97 139.92 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.442 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 41.3 m95 -79.98 126.22 30.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD12 ' HB1' ' A' ' 40' ' ' ALA . 24.4 mt -82.96 -5.03 58.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.592 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.2 mmtm -131.54 157.35 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -113.57 162.8 15.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' HD12 ' A' ' 64' ' ' ILE . 4.0 mt-10 -68.93 115.6 8.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.448 1.093 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.79 -10.78 27.65 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 153.64 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 110.398 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.41 164.93 25.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.629 ' CG1' HD21 ' A' ' 41' ' ' LEU . 44.9 t -142.04 145.34 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 16.3 m -134.17 138.27 45.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.956 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.12 132.33 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.44 -38.16 3.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.68 136.64 57.98 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.583 0.813 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -65.3 134.47 53.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.629 HD21 ' CG1' ' A' ' 35' ' ' VAL . 15.9 mt -99.58 -53.91 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.0 p -151.14 171.36 17.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.326 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -100.96 114.99 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 53' ' ' LEU . 3.3 mm -94.01 132.15 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.68 134.29 34.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 51' ' ' VAL . 3.2 p -142.26 145.35 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -46.12 -51.47 13.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -44.07 -63.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -173.57 -167.25 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.25 121.24 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.417 HG22 ' OG1' ' A' ' 46' ' ' THR . 4.5 m -120.5 160.8 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.554 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 20.9 m -117.55 142.5 47.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.432 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 44' ' ' ILE . 1.1 tt -91.06 113.29 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -87.51 151.28 23.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -69.57 145.77 52.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.57 -12.61 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.591 ' OD2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -157.01 167.71 29.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' N ' ' CG ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -102.89 127.51 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -174.26 -171.24 38.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.728 HD13 ' HA ' ' A' ' 34' ' ' ALA . 14.7 mm -102.1 134.24 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 0.794 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.49 87.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -53.63 -68.82 0.15 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 1.4 pttt -144.18 172.51 12.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 63' ' ' LYS . 81.7 mt -125.04 90.09 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 78' ' ' LEU . 42.1 t -39.79 -58.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.3 t -114.02 125.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -85.87 175.63 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.1 pm0 -68.4 151.73 46.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.92 -11.76 64.18 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.424 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -81.38 130.91 35.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.01 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -109.28 178.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 46.18 78.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 9.5 mm -107.78 85.5 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 73' ' ' ILE . 4.8 mtt-85 -36.94 154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.6 HD11 ' O ' ' A' ' 19' ' ' MET . 5.0 mt -67.2 155.59 38.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.46 59.92 5.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 79' ' ' ILE . 18.9 m -126.18 133.4 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -65.14 117.83 8.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 109.241 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' SER . 18.7 pt -111.41 -18.48 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.828 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -170.91 153.7 21.3 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.117 . . . . 0.0 110.971 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -117.31 134.49 54.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.792 HG13 HD11 ' A' ' 10' ' ' ILE . 18.4 mt -110.18 150.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 62' ' ' ALA . 6.8 m -140.79 130.52 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' GLU . 6.8 mt-10 -43.51 112.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -39.22 137.09 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.242 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 101.51 16.75 23.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -117.53 167.22 11.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 0.735 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.01 58.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 11.2 p-90 -52.97 -49.59 65.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.492 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 3.5 tttt -48.08 118.39 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.362 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.98 110.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.57 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.7 t -70.05 103.89 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.3 p -147.44 144.82 28.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.05 156.3 51.48 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 57.3 4.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.4 t -92.03 120.19 32.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 110.089 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 t 42.34 89.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 110.034 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 64.1 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.567 0.804 . . . . 0.0 109.977 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.13 144.33 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.13 165.5 36.59 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.47 161.24 41.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t 177.29 147.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 99.3 175.12 31.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.088 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -95.17 106.56 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.912 ' HA ' HD22 ' A' ' 81' ' ' LEU . 2.3 ptpp? -80.82 128.29 33.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.724 ' O ' HD23 ' A' ' 78' ' ' LEU . 26.1 mt -88.88 113.19 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.711 HD21 ' HG3' ' A' ' 9' ' ' LYS . 3.6 mt -104.01 134.57 47.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 44' ' ' ILE . 40.0 tpp -48.79 107.41 0.76 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.97 157.26 43.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.6 p -78.78 58.35 2.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.811 HD11 HD12 ' A' ' 44' ' ' ILE . 3.8 mt -42.04 -32.1 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.415 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.6 m -123.02 152.01 62.4 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 109.945 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.722 ' C ' HG23 ' A' ' 18' ' ' THR . 18.5 Cg_endo -74.98 133.58 16.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.455 1.766 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.722 HG23 ' C ' ' A' ' 17' ' ' PRO . 0.9 OUTLIER 65.87 25.56 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.422 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.882 ' HG2' HD21 ' A' ' 75' ' ' LEU . 5.1 ttt -78.25 125.79 29.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -91.2 -30.71 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -164.35 -177.26 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 -178.14 27.33 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -133.77 114.0 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 0.739 . . . . 0.0 109.339 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.3 mt -70.12 101.13 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' GLU . 21.8 t -59.17 -64.42 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 13.0 ttpt -156.06 160.21 39.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.685 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 48.3 m95 -96.24 125.26 40.63 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' HB1' ' A' ' 40' ' ' ALA . 38.8 mt -81.75 -16.58 50.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' HG3' HD23 ' A' ' 41' ' ' LEU . 6.3 mttt -122.67 153.07 39.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -105.94 164.84 11.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.26 117.2 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.552 ' HA3' ' CZ2' ' A' ' 89' ' ' TRP . . . 114.24 -12.24 21.8 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.71 155.63 23.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.696 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -77.11 163.34 26.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 ' CG1' HD21 ' A' ' 41' ' ' LEU . 23.6 t -141.8 148.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.358 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.8 t -128.57 158.89 37.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.058 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.52 141.43 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.76 41.85 95.52 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -127.82 139.58 52.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -68.58 120.65 14.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.7 mt -95.77 -53.34 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.34 169.74 20.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.8 mt-10 -106.04 123.43 47.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.811 HD12 HD11 ' A' ' 15' ' ' LEU . 14.1 mt -111.98 144.04 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.63 145.44 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.112 . . . . 0.0 110.37 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 47' ' ' ASP . 2.7 p -144.53 145.55 31.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.367 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 46' ' ' THR . 0.6 OUTLIER -40.46 -40.53 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.53 -74.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -162.69 -162.95 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 p -83.56 118.8 31.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.9 m -117.72 167.85 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HB1' ' A' ' 40' ' ' ALA . 2.7 m -119.86 147.16 45.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.377 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -90.14 121.55 32.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -100.94 153.23 19.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -87.1 151.45 23.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -104.36 -24.25 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.968 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.74 164.03 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.235 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.24 126.89 40.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -166.7 -175.48 36.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.696 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.7 mm -106.09 133.04 51.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.43 92.56 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -57.51 -67.27 0.34 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -141.59 170.16 16.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.685 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 84.0 mt -121.65 81.92 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.23 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 64' ' ' ILE . 40.5 t -39.42 -58.8 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.9 t -102.05 117.19 47.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.89 172.26 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.8 pp20? -72.15 150.45 43.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.34 -13.89 51.32 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.4 OUTLIER -78.89 173.57 12.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.25 162.86 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.235 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 m120 61.45 63.07 1.24 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 70' ' ' SER . 9.0 mm -102.38 96.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -63.81 174.05 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.882 HD21 ' HG2' ' A' ' 19' ' ' MET . 4.3 mt -82.79 152.32 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.07 -15.27 49.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.8 m -73.1 124.4 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.96 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.797 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -67.7 128.69 37.41 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.13 -31.19 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.13 153.94 24.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -115.6 130.21 56.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.717 ' N ' HD13 ' A' ' 81' ' ' LEU . 45.8 mt -99.96 150.5 5.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.2 m -137.99 130.18 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' CB ' ' HG3' ' A' ' 87' ' ' GLU . 1.1 mt-10 -41.55 124.09 2.36 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -38.58 115.21 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.88 53.85 3.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HG3' ' CB ' ' A' ' 84' ' ' GLU . 5.6 mm-40 -139.51 48.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.4 t70 44.46 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.552 ' CZ2' ' HA3' ' A' ' 32' ' ' GLY . 14.8 p-90 -92.86 -48.11 6.71 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.3 OUTLIER -50.02 -69.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 66.1 t60 69.3 95.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.613 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.39 120.46 56.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.72 84.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.945 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -84.34 178.68 51.72 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.45 40.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.3 m -84.47 132.82 34.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 110.056 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.38 96.86 2.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -142.4 -58.27 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -154.01 149.52 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.42 119.69 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -114.24 -57.72 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 0.731 . . . . 0.0 109.989 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.88 166.19 4.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.15 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.6 -177.14 18.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 mt -113.23 110.16 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.237 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 78' ' ' LEU . 7.8 ptpt -83.65 123.44 29.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 82' ' ' ILE . 4.7 mt -90.46 114.79 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 10' ' ' ILE . 11.6 mt -107.31 140.84 39.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 44.8 tpp -49.42 115.87 5.29 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.635 ' HG3' HD21 ' A' ' 53' ' ' LEU . 17.8 Cg_endo -75.11 162.37 36.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.466 1.772 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 p -88.63 58.18 4.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.953 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD12 HG21 ' A' ' 44' ' ' ILE . 12.3 mt -41.88 -60.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.32 156.51 85.48 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.959 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 111.038 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -137.43 52.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.519 ' HG2' HD21 ' A' ' 75' ' ' LEU . 4.7 ttt -98.99 143.4 29.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.86 -25.94 10.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.05 156.09 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -120.82 -168.58 13.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.499 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -153.91 110.8 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 109.352 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.3 mp -69.56 107.08 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.98 -59.24 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 15.3 tttt -154.2 142.49 20.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -81.99 125.57 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' HB1' ' A' ' 40' ' ' ALA . 87.6 mt -86.73 2.3 49.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.695 ' HG3' HD23 ' A' ' 41' ' ' LEU . 7.0 mmtm -135.99 159.92 40.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -117.08 159.11 23.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.662 ' HG3' HD12 ' A' ' 64' ' ' ILE . 52.6 mt-10 -70.06 122.87 20.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.76 -8.87 43.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.63 155.72 19.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 110.247 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.53 165.89 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.621 ' CG1' HD21 ' A' ' 41' ' ' LEU . 58.8 t -141.95 149.37 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 49.6 m -129.97 142.59 50.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.058 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 129.3 39.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.72 -36.53 4.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -60.99 152.96 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB1' HG21 ' A' ' 52' ' ' THR . . . -78.24 131.94 37.33 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.6 1.188 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.695 HD23 ' HG3' ' A' ' 29' ' ' LYS . 11.5 mt -98.67 -56.06 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.248 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 p -152.14 167.64 27.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 108.372 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -97.99 116.05 29.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.965 HD11 HD12 ' A' ' 53' ' ' LEU . 3.4 mm -92.74 132.14 37.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.58 128.57 38.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.236 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 22.9 p -142.48 149.67 39.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.415 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -39.84 66.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.0 OUTLIER -51.8 -57.28 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 48' ' ' LYS . . . 179.07 -171.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 50' ' ' VAL . 13.7 p -85.68 106.78 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.99 163.82 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.577 HG21 ' HB1' ' A' ' 40' ' ' ALA . 4.8 m -119.16 144.53 46.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.411 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.965 HD12 HD11 ' A' ' 44' ' ' ILE . 0.8 OUTLIER -86.61 110.1 19.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -85.86 151.16 24.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.368 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -79.61 137.3 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.0 m -92.96 -29.61 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.941 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -133.46 162.81 30.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.6 121.81 42.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.473 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -166.8 -176.01 37.45 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.567 1.167 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mm -96.68 134.59 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -65.31 88.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.638 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -47.57 -65.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.36 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.507 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -151.33 179.49 8.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.662 HD12 ' HG3' ' A' ' 31' ' ' GLU . 58.8 mt -128.29 98.44 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.507 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 38.2 t -55.83 -55.8 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.515 HG11 HD12 ' A' ' 73' ' ' ILE . 62.7 t -107.62 112.59 40.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -79.97 165.05 22.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.464 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.5 pt-20 -59.92 148.13 36.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 110.306 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.57 -5.66 57.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.7 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.7 m -84.11 125.11 31.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -103.79 175.26 5.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.8 m120 43.88 83.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.7 HD11 ' HB3' ' A' ' 70' ' ' SER . 3.5 mm -120.98 86.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.61 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD21 ' HG2' ' A' ' 19' ' ' MET . 2.5 mt -83.34 154.28 24.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.91 39.75 64.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.7 118.32 29.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.8 mt -62.49 121.43 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' VAL . 40.1 pt -110.23 -25.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.774 ' O ' HD12 ' A' ' 10' ' ' ILE . . . -174.52 153.93 17.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.129 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.79 157.54 22.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 10' ' ' ILE . 74.5 mt -123.55 144.46 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 62' ' ' ALA . 6.9 m -127.33 131.06 70.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 85' ' ' GLU . 1.9 mt-10 -44.26 125.69 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.348 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 84' ' ' GLU . 0.6 OUTLIER -38.68 139.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 99.21 -59.09 0.84 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.69 147.97 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 0.745 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -77.03 89.86 3.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.413 ' CD2' ' N ' ' A' ' 90' ' ' LYS . 36.8 p-90 -57.22 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 108.035 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' N ' ' CD2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -57.13 127.99 34.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.212 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 111.31 5.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.556 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.6 t -125.87 87.19 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.23 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -46.88 139.01 5.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.905 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 173.94 -176.13 46.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.432 1.083 . . . . 0.0 111.015 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 74.91 3.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.565 1.824 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.71 117.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -67.57 -58.53 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.918 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 m -109.26 94.59 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 0.734 . . . . 0.0 110.081 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -169.87 101.9 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.087 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.11 156.96 22.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -144.45 156.85 44.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 110.046 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.62 101.18 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 110.01 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 134.82 -176.12 20.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -100.23 107.33 20.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.881 ' HA ' HD22 ' A' ' 81' ' ' LEU . 10.7 ptpt -77.53 119.48 21.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 82' ' ' ILE . 60.2 mt -76.08 106.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 9' ' ' LYS . 12.0 mt -102.08 140.6 36.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.44 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 41.9 tpp -55.38 112.96 4.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.725 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.04 148.41 35.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 m -76.45 57.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.7 mt -41.79 -51.38 4.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.26 157.22 56.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.051 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -22.6 14.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -140.9 58.92 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' LEU . 4.0 ttt -110.49 143.94 40.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.84 -25.99 9.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -157.51 -178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -153.05 173.0 32.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' ND2' ' CB ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -127.97 111.96 14.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.4 mp -66.1 102.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' GLU . 16.9 t -62.34 -64.37 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 6.7 ttpp -154.1 150.89 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.505 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 58.7 m95 -87.64 125.29 34.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 107.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD12 ' HB1' ' A' ' 40' ' ' ALA . 20.8 mt -85.83 -4.47 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 13.1 mmtt -130.72 159.56 36.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.37 161.17 16.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 64' ' ' ILE . 41.5 mt-10 -70.24 109.77 4.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 60' ' ' ILE . . . 122.73 -36.22 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.152 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.64 155.05 13.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.297 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -75.14 169.26 18.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.645 ' CG1' HD21 ' A' ' 41' ' ' LEU . 47.8 t -142.05 146.52 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.265 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -131.74 137.13 48.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 130.45 46.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.82 -38.33 3.22 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.87 142.13 58.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -66.26 141.19 58.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.645 HD21 ' CG1' ' A' ' 35' ' ' VAL . 17.4 mt -105.5 -53.35 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 p -157.98 172.57 18.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.9 mt-10 -105.47 134.32 48.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.97 HD11 HD12 ' A' ' 53' ' ' LEU . 31.9 mt -123.98 142.77 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CB ' ' ND2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -90.23 140.39 29.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 49' ' ' ALA . 22.0 p -144.38 152.83 41.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -45.12 -43.35 9.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -76.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 46' ' ' THR . . . -163.09 -168.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 7.6 p -80.61 102.05 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.6 m -101.64 164.87 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.402 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.424 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 23.2 m -118.06 145.22 44.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.97 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -87.86 114.82 24.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.21 135.57 34.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -55.8 141.99 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.66 -38.36 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.94 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -137.8 159.83 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.87 130.85 35.19 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -174.23 -175.86 42.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.4 mm -108.78 127.39 65.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.57 88.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.686 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -52.81 -58.37 7.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.595 1.185 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.09 176.18 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.656 HG21 ' OE2' ' A' ' 67' ' ' GLU . 79.4 mt -129.04 82.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.7 t -39.34 -60.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 73' ' ' ILE . 11.4 t -107.85 114.58 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 64' ' ' ILE . 19.7 mm-40 -79.17 -174.41 4.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.3 pt-20 -79.03 151.51 31.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.39 -19.59 52.09 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.56 158.74 20.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.92 -156.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 47.01 56.85 6.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.509 HG13 HD12 ' A' ' 24' ' ' ILE . 4.5 mm -98.38 83.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -40.37 160.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 1.18 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.613 HD11 ' O ' ' A' ' 19' ' ' MET . 4.1 mt -66.07 149.11 50.78 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.093 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.68 54.49 13.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.163 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.7 t -113.31 147.49 37.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.043 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.805 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.1 mt -77.81 118.45 20.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 pt -109.23 -32.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.5 156.26 27.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.428 1.08 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -112.1 136.42 51.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.776 ' N ' HD13 ' A' ' 81' ' ' LEU . 42.5 mt -110.89 146.18 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 62' ' ' ALA . 27.5 m -130.98 139.42 51.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.69 131.06 29.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -38.37 112.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 110.224 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 83.55 64.84 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -143.73 39.78 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 0.79 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 50.06 75.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.45 ' CD1' HG21 ' A' ' 60' ' ' ILE . 11.2 p-90 -83.96 -40.4 18.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.602 1.189 . . . . 0.0 108.014 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.24 -72.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -124.66 91.79 3.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.102 . . . . 0.0 109.565 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -54.39 158.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.64 121.61 2.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -82.87 157.51 35.71 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.438 1.086 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.14 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.454 1.765 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.5 p -95.8 103.54 15.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.6 m -74.84 161.86 29.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.61 -58.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 0.0 110.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -92.54 91.21 7.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.961 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.22 94.35 1.32 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.45 1.094 . . . . 0.0 111.045 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 m -112.93 112.81 24.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.7 p -179.05 116.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 109.992 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.86 -174.54 15.57 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.09 107.39 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.875 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -81.21 126.89 32.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 HD11 HG13 ' A' ' 82' ' ' ILE . 14.4 mt -90.6 105.04 15.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.509 HD21 ' HD3' ' A' ' 9' ' ' LYS . 20.4 mt -98.85 143.17 29.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.444 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 42.0 tpp -53.64 115.42 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.653 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.99 168.99 23.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.428 1.752 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 p -92.08 57.41 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.05 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -41.12 -61.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.46 150.15 50.75 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -20.06 17.31 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.9 p -134.32 49.32 2.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.452 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 ttt -111.11 132.11 54.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -96.42 -28.25 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -159.78 169.77 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' C ' ' OD1' ' A' ' 23' ' ' ASN . . . -135.41 175.96 20.39 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -135.28 110.73 9.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -64.52 102.52 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.56 -60.89 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -156.54 147.19 21.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.24 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.556 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 56.0 m95 -84.56 126.63 33.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 107.97 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.652 HD12 ' HB1' ' A' ' 40' ' ' ALA . 55.1 mt -86.82 -6.17 58.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.601 ' HG3' HD23 ' A' ' 41' ' ' LEU . 11.9 mmtm -128.63 157.81 40.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -112.33 163.23 14.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HG3' HD12 ' A' ' 64' ' ' ILE . 38.7 mt-10 -71.56 118.29 14.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.19 -14.54 30.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.44 1.087 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.58 163.78 27.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.536 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -86.07 163.85 17.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.642 ' CG1' HD21 ' A' ' 41' ' ' LEU . 22.1 t -142.11 140.67 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.597 1.186 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -129.5 127.61 41.17 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.573 1.171 . . . . 0.0 110.022 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.2 134.23 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.6 42.5 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.89 143.07 46.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.652 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -67.62 111.81 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.231 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.642 HD21 ' CG1' ' A' ' 35' ' ' VAL . 18.0 mt -87.81 -54.55 4.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 20.4 p -155.77 168.1 28.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -105.84 128.62 53.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 53' ' ' LEU . 47.8 mt -115.92 141.93 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 23' ' ' ASN . 3.7 mt-10 -84.05 138.55 33.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 p -144.34 147.87 34.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.398 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -44.34 2.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -59.69 -68.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.05 -167.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 50' ' ' VAL . 9.4 p -85.48 96.55 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 52' ' ' THR . 2.6 t -90.12 168.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' HB1' ' A' ' 40' ' ' ALA . 9.7 m -118.61 144.88 45.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.177 . . . . 0.0 110.373 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.653 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -87.98 110.64 20.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -86.6 149.73 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.03 139.78 33.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.7 -22.4 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.157 . . . . 0.0 110.021 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -137.58 166.72 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.09 126.97 51.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.425 1.078 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -168.39 -172.65 35.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.536 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.8 mm -103.42 133.83 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 0.798 . . . . 0.0 109.364 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.68 88.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.76 ' HB3' ' O ' ' A' ' 81' ' ' LEU . . . -52.38 -63.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.201 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 64' ' ' ILE . 12.3 pttt -150.23 174.34 12.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.556 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 58.1 mt -123.45 86.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 64' ' ' ILE . 47.3 t -39.61 -54.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.8 t -114.78 116.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -77.29 -175.34 3.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.493 ' HA ' HG22 ' A' ' 24' ' ' ILE . 3.4 pt-20 -82.56 146.58 29.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.71 -3.51 34.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.614 ' HB3' HD11 ' A' ' 73' ' ' ILE . 2.1 m -86.62 155.82 20.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 164.72 28.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 m120 58.56 64.38 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.2 mm -100.33 97.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -59.26 155.76 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -67.05 163.73 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.75 39.24 93.4 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 m -119.67 129.61 54.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 0.78 . . . . 0.0 110.056 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.2 mt -66.86 122.63 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.413 HD11 HD13 ' A' ' 53' ' ' LEU . 34.5 pt -110.68 -29.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.528 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -162.73 153.63 24.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.875 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.72 129.05 55.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.719 HG13 HD11 ' A' ' 10' ' ' ILE . 27.5 mt -100.18 153.38 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG22 ' HB2' ' A' ' 62' ' ' ALA . 1.6 m -135.07 132.17 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -38.34 126.41 1.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.92 123.16 2.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.62 -53.35 0.59 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.452 1.095 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -38.96 126.27 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 0.737 . . . . 0.0 110.346 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.04 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.481 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 32.2 p-90 -59.75 -53.19 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -90.28 137.23 32.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -54.73 176.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.632 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t 62.65 124.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 79.7 p -139.15 163.12 33.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -170.7 157.12 27.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 100.08 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -129.43 166.97 18.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.022 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 t -98.36 153.53 18.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.953 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 m -91.31 -57.46 2.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 0.717 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.95 162.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.02 172.77 36.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -79.38 99.12 7.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 0.707 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -115.0 155.3 27.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.31 -174.82 9.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.07 109.25 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.874 ' HA ' HD22 ' A' ' 81' ' ' LEU . 9.8 ptpt -85.06 127.18 34.11 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.687 HD11 HG13 ' A' ' 82' ' ' ILE . 6.5 mt -91.0 104.86 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD21 ' HG ' ' A' ' 78' ' ' LEU . 23.5 mt -100.01 143.24 30.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.416 1.072 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.411 ' SD ' HD13 ' A' ' 44' ' ' ILE . 44.2 tpp -55.44 112.06 3.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.94 153.87 42.4 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.435 1.756 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -77.4 61.32 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -48.1 -58.0 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.59 156.42 85.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.88 12.36 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.84 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -145.66 56.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.524 ' O ' HD11 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -105.77 136.4 45.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.961 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -97.53 -29.21 13.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.311 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -158.54 157.96 33.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -119.67 -163.54 12.31 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.574 1.171 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.526 ' H ' HG23 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -157.73 109.59 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.2 mp -65.81 104.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.77 -58.87 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -158.51 145.68 17.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.633 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 60.0 m95 -82.97 129.37 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 107.929 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD12 ' HB1' ' A' ' 40' ' ' ALA . 34.5 mt -85.63 -8.44 58.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -127.16 164.1 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -119.67 165.54 14.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.39 119.86 13.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 1.165 . . . . 0.0 110.369 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.512 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 108.89 -28.8 10.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -63.0 155.57 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 0.772 . . . . 0.0 110.296 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -79.71 167.39 20.71 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.555 HG11 HD21 ' A' ' 41' ' ' LEU . 43.1 t -141.84 145.68 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 13.5 m -132.04 137.94 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 130.47 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.76 -29.91 11.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.035 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.87 150.61 46.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -74.81 138.92 42.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.555 HD21 HG11 ' A' ' 35' ' ' VAL . 14.7 mt -103.65 -53.09 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 27' ' ' TRP . 24.4 p -158.18 175.64 13.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.339 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -109.55 136.84 48.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.011 HD11 HD12 ' A' ' 53' ' ' LEU . 38.5 mt -123.24 145.84 29.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.093 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 23' ' ' ASN . 1.4 mt-10 -91.59 140.8 29.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.54 HG21 ' CG2' ' A' ' 51' ' ' VAL . 6.4 p -144.82 153.74 41.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.414 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.2 -37.24 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.85 -64.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -172.57 -167.99 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.2 p -86.59 102.75 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.54 ' CG2' HG21 ' A' ' 46' ' ' THR . 2.5 m -103.13 155.0 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.5 m -108.51 140.66 41.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.011 HD12 HD11 ' A' ' 44' ' ' ILE . 0.4 OUTLIER -84.88 124.25 31.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.83 145.88 29.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -64.45 149.75 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -18.77 14.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.969 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -152.12 169.55 22.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.41 123.93 42.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.226 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' VAL . . . -169.29 -170.03 33.34 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 34' ' ' ALA . 3.2 mm -110.54 131.17 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.28 91.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.05 -66.99 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.1 OUTLIER -148.73 141.58 24.68 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.574 1.172 . . . . 0.0 109.341 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 57.2 mt -92.1 85.13 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' ILE . 57.9 t -39.33 -59.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG11 HD12 ' A' ' 73' ' ' ILE . 98.2 t -107.31 110.5 32.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -78.73 -177.7 5.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.543 ' HA ' HG22 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -76.55 160.13 29.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.05 -3.45 80.58 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.572 ' HB3' HD11 ' A' ' 73' ' ' ILE . 3.1 m -90.07 124.93 35.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.035 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mmtm -102.83 172.69 6.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 49.94 81.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.572 HD11 ' HB3' ' A' ' 70' ' ' SER . 4.4 mm -117.62 88.68 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -51.83 169.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 110.291 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 19' ' ' MET . 6.3 mt -78.89 162.6 25.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.98 35.29 82.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.582 1.177 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -111.71 122.34 47.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.4 mt -64.16 119.21 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.7 pt -107.41 -28.27 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.548 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.77 154.02 24.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.874 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -116.53 130.1 56.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.689 ' N ' HD13 ' A' ' 81' ' ' LEU . 11.2 mt -98.68 151.27 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 5.9 m -139.47 135.49 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 86' ' ' GLY . 3.2 mt-10 -38.95 122.08 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -38.77 99.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 84' ' ' GLU . . . 97.92 56.5 1.07 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.452 1.095 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -144.32 65.14 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.346 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 40.32 83.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.512 ' CD2' ' HA2' ' A' ' 32' ' ' GLY . 21.1 p-90 -89.97 -44.42 9.88 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.84 150.5 44.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -117.8 -58.45 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.07 -64.38 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.2 t -84.65 168.7 15.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 137.27 172.14 12.43 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.161 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.8 29.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.521 1.8 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.66 92.77 0.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.96 154.93 49.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.051 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.092 . . . . 0.0 110.96 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -178.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.89 -56.57 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.28 146.6 4.35 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.21 -61.22 1.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 0.779 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -145.9 -58.8 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.89 174.01 34.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.4 mt -102.16 109.41 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.884 ' HA ' HD22 ' A' ' 81' ' ' LEU . 17.7 ptpt -81.9 124.92 30.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.869 HD12 ' C ' ' A' ' 80' ' ' GLY . 5.6 mt -87.31 103.11 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.375 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.25 141.29 30.53 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.473 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 39.8 tpp -56.3 115.95 11.33 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.881 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 159.09 41.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -85.93 57.57 4.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG21 ' A' ' 44' ' ' ILE . 56.4 mt -42.32 -51.52 4.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.36 163.96 40.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.71 7.93 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.449 1.762 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.7 p -138.86 63.67 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.693 ' O ' HD11 ' A' ' 75' ' ' LEU . 1.2 ttt -108.03 131.74 54.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -24.94 13.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 73' ' ' ILE . 5.4 pt-20 -162.5 154.08 18.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -122.3 -165.74 12.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -152.65 112.69 3.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.784 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' HA ' ' A' ' 68' ' ' GLU . 2.5 mp -69.9 110.75 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.211 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 t -71.7 -59.98 2.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 7.1 ttpp -151.92 147.74 26.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.528 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 51.4 m95 -87.22 121.96 30.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD12 ' HB1' ' A' ' 40' ' ' ALA . 56.9 mt -76.81 -16.64 59.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.364 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HG3' HD23 ' A' ' 41' ' ' LEU . 14.5 mmtt -123.49 160.29 27.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -116.23 169.92 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -72.6 115.54 12.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.437 ' HA2' ' CD2' ' A' ' 89' ' ' TRP . . . 118.56 -40.37 2.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.27 158.66 4.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.749 . . . . 0.0 110.336 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -82.41 165.4 20.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG11 HD21 ' A' ' 41' ' ' LEU . 21.4 t -141.86 144.1 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 1.4 t -125.42 161.27 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.934 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.46 132.36 43.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.87 -36.23 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.478 1.112 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.11 141.72 49.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HB1' HD12 ' A' ' 28' ' ' LEU . . . -68.63 141.44 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.662 HD21 HG11 ' A' ' 35' ' ' VAL . 12.6 mt -107.08 -54.21 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -151.62 175.73 12.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 108.345 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -104.53 116.34 31.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.762 HD11 HD12 ' A' ' 53' ' ' LEU . 3.2 mm -93.29 135.91 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -98.29 131.13 44.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -138.23 147.6 43.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -48.09 -47.5 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -66.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -169.97 -170.94 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.57 124.62 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.27 159.21 37.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.2 m -116.25 140.32 49.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.374 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.881 HD21 ' HG3' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -88.6 122.72 32.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -98.89 152.68 19.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -77.4 142.29 39.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.3 t -96.67 -27.33 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -138.75 155.66 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.46 131.35 34.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.453 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -173.52 -178.61 43.61 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.645 HD13 ' HA ' ' A' ' 34' ' ' ALA . 2.3 mm -103.13 133.17 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD22 HG13 ' A' ' 64' ' ' ILE . 0.5 OUTLIER -63.49 88.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -53.44 -68.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -147.23 142.01 26.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.528 HG23 ' CZ2' ' A' ' 27' ' ' TRP . 67.8 mt -93.61 87.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.3 t -40.21 -58.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -109.66 122.72 64.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.89 -179.37 7.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.637 ' HA ' HG22 ' A' ' 24' ' ' ILE . 1.5 pt-20 -71.39 165.82 22.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.39 11.64 79.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 66.9 m -94.04 107.89 19.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 0.794 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.72 159.97 15.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.33 77.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.473 ' HB ' ' CE ' ' A' ' 12' ' ' MET . 11.1 mm -110.33 90.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ILE . 6.7 mtt180 -37.83 156.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 19' ' ' MET . 4.8 mt -67.7 156.92 35.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.48 51.6 3.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.097 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.7 m -111.81 138.02 48.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.7 mt -68.6 117.69 10.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.4 pt -108.53 -25.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.869 ' C ' HD12 ' A' ' 10' ' ' ILE . . . -164.23 153.92 24.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.884 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -117.95 129.05 55.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.756 . . . . 0.0 109.268 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.584 ' N ' HD13 ' A' ' 81' ' ' LEU . 10.2 mt -102.59 151.91 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.509 HG13 ' HB2' ' A' ' 62' ' ' ALA . 29.0 m -135.77 139.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.32 125.24 4.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -40.4 107.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.3 58.8 1.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -146.99 58.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 0.747 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 42.06 79.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.554 ' CH2' ' HG3' ' A' ' 90' ' ' LYS . 50.7 p-90 -85.09 -54.0 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.554 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 3.9 tttt -61.15 110.94 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.7 -61.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.584 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.4 p -55.79 126.39 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 m 65.74 100.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -154.61 -155.15 7.14 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.2 p -135.01 119.29 17.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.967 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.5 p -67.77 117.84 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.074 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -138.03 -57.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 110.077 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.46 153.06 20.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.59 174.97 15.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -156.73 -64.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 0.747 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -174.69 167.04 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 81' ' ' LEU . . . 115.38 161.41 13.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 82' ' ' ILE . 5.5 mt -94.14 110.06 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.936 ' HA ' HD22 ' A' ' 81' ' ' LEU . 3.0 ptpp? -73.02 128.69 36.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.234 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.3 mt -83.01 109.81 17.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HD3' ' A' ' 9' ' ' LYS . 14.1 mt -107.89 136.65 47.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.403 ' CE ' ' HB ' ' A' ' 73' ' ' ILE . 47.5 tpp -50.53 106.1 0.6 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HG3' HD21 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.02 152.54 40.77 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -77.35 59.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD11 HG13 ' A' ' 44' ' ' ILE . 81.4 mt -46.51 -29.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 56.3 m -124.54 156.63 67.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.428 ' C ' HG23 ' A' ' 18' ' ' THR . 18.0 Cg_endo -75.09 143.58 28.94 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 17' ' ' PRO . 1.1 p 52.2 25.41 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.886 ' HG2' HD21 ' A' ' 75' ' ' LEU . 2.9 ttt -72.98 105.64 4.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.21 -32.14 71.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.96 -177.39 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' C ' ' ND2' ' A' ' 23' ' ' ASN . . . -149.7 -164.94 12.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.494 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -149.66 122.72 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 79' ' ' ILE . 4.4 mt -77.37 106.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.8 t -65.92 -61.91 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 68' ' ' GLU . 18.2 ttpt -152.11 159.41 43.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 64' ' ' ILE . 33.4 m95 -96.44 123.14 40.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD12 ' HB1' ' A' ' 40' ' ' ALA . 25.9 mt -78.54 -18.31 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 41' ' ' LEU . 10.6 mttt -118.52 168.42 10.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -118.78 172.39 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.54 ' HG3' HD12 ' A' ' 64' ' ' ILE . 63.9 mt-10 -75.38 124.79 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.3 -13.06 60.19 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.118 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.01 160.35 31.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.342 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.775 ' HA ' HD13 ' A' ' 60' ' ' ILE . . . -81.07 166.5 20.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.62 HG13 HD21 ' A' ' 41' ' ' LEU . 59.4 t -141.95 142.09 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.505 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 15.1 m -131.97 141.94 49.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.67 129.65 42.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.92 -40.84 2.29 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.46 146.11 36.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 0.751 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HB1' ' CG2' ' A' ' 52' ' ' THR . . . -79.59 135.26 36.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.62 HD21 HG13 ' A' ' 35' ' ' VAL . 26.4 mt -99.52 -53.26 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.9 p -151.17 170.17 20.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.348 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -98.53 114.66 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.819 HD11 HD12 ' A' ' 53' ' ' LEU . 2.7 mm -94.56 133.16 36.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -93.33 138.25 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.1 p -144.12 144.21 31.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.24 -41.44 12.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.45 -68.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -164.25 -169.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 50' ' ' VAL . 11.8 p -86.37 107.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.55 166.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.5 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 5.2 m -123.72 144.7 49.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.819 HD12 HD11 ' A' ' 44' ' ' ILE . 0.7 OUTLIER -84.99 118.69 24.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.15 138.96 37.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 36' ' ' SER . . . -62.72 139.63 58.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.5 t -96.69 -18.47 19.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -149.68 162.43 40.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.236 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -91.08 127.06 36.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 82' ' ' ILE . . . -170.85 -178.54 41.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.061 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.775 HD13 ' HA ' ' A' ' 34' ' ' ALA . 4.0 mm -103.84 132.89 49.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 88.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.692 ' HB2' HG13 ' A' ' 83' ' ' VAL . . . -50.32 -56.44 11.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.536 ' NZ ' HG22 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -157.16 172.6 18.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.54 HD12 ' HG3' ' A' ' 31' ' ' GLU . 80.2 mt -122.07 83.1 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.536 HG22 ' NZ ' ' A' ' 63' ' ' LYS . 39.6 t -40.17 -60.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.5 t -105.34 123.21 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.45 -179.18 5.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' LYS . 1.5 pp20? -75.98 145.21 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.342 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.14 -18.38 18.68 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.636 ' HB3' HD11 ' A' ' 73' ' ' ILE . 0.6 OUTLIER -71.67 164.88 25.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 0.742 . . . . 0.0 109.984 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 153.25 41.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.39 72.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.636 HD11 ' HB3' ' A' ' 70' ' ' SER . 8.6 mm -108.9 88.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.402 1.064 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 168.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.886 HD21 ' HG2' ' A' ' 19' ' ' MET . 10.8 mt -72.94 159.43 33.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 41.38 99.6 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.901 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.1 p -114.41 133.63 55.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.863 HD21 ' HB2' ' A' ' 9' ' ' LYS . 1.3 mt -78.32 106.6 10.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.252 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 24' ' ' ILE . 27.4 pt -106.73 -11.41 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.21 14.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.936 HD22 ' HA ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER -116.47 139.19 50.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 0.739 . . . . 0.0 109.344 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.832 ' N ' HD13 ' A' ' 81' ' ' LEU . 32.9 mt -111.31 144.86 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 62' ' ' ALA . 35.8 m -133.22 130.18 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -39.21 127.31 1.74 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.02 125.0 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . 110.89 -53.7 0.57 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.089 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 89' ' ' TRP . 2.6 mm-40 -38.72 125.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.03 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.439 ' N ' ' O ' ' A' ' 87' ' ' GLU . 45.9 p-90 -67.43 -50.55 58.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.014 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -53.78 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.99 134.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.573 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.3 m -140.13 -52.15 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.19 -60.43 0.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.1 -179.04 27.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.138 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 143.51 29.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 t -80.47 100.19 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.1 p -41.03 157.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.969 . . . . . . . . 0 0 . 1 stop_ save_