data_1ot4_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 1ot4 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.29 -0.634 . . . . 1.87 109.29 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.9 t -55.49 -77.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 1.97 109.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.9 146.51 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.8 110.008 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 23' ' ' LEU . 31.2 p -156.32 163.13 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.55 110.004 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.511 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.1 m -136.23 59.03 24.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 2.03 110.39 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 -73.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.46 110.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.27 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.61 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.35 101.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 2.36 110.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.0 41.35 6.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.79 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -74.58 93.24 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 2.94 109.964 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' ' 100' ' ' LYS . 11.2 mt-10 -107.85 129.17 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 2.6 110.327 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.59 -44.32 0.99 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.7 110.992 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.76 161.74 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 2.02 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 138.38 55.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 2.39 109.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 1.39 110.981 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.93 -53.63 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.75 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -155.27 151.52 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 3.26 109.334 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.68 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.66 109.329 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -114.35 148.48 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.62 110.293 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 12.9 mt -147.83 144.28 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.82 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 54.4 m-70 -141.15 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.9 109.62 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 3.1 m-85 -154.7 129.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 4.53 110.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 1.99 109.986 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.052 -0.819 . . . . 1.09 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.53 152.98 29.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 2.02 109.317 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -155.01 125.04 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 2.95 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 tp -95.45 134.03 38.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.75 109.331 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -129.77 132.23 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.83 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.523 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -88.88 95.49 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 3.9 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -111.05 63.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 2.03 110.407 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 2.18 109.294 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.504 0.192 . . . . 3.3 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.73 142.61 54.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 2.08 109.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.3 p -101.3 161.42 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.82 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -84.02 86.19 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 4.09 109.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.96 175.21 8.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.63 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.21 151.07 43.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.72 109.249 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -109.17 125.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 3.15 109.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.8 m -141.32 132.95 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.18 109.996 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.85 111.021 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.33 -0.619 . . . . 2.58 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 m -118.37 122.29 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.86 110.385 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.467 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 2.1 tpp -103.08 148.17 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 2.45 111.026 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.3 t -144.99 108.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 2.69 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -86.54 125.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.5 109.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.94 109.48 15.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.82 110.387 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.04 18.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.441 1.759 . . . . 0.58 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.69 -21.79 63.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 1.83 109.322 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.99 152.3 46.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.02 109.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.47 16.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 1.1 111.021 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 27.4 mt -75.65 116.08 15.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.7 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.0 p -84.98 167.28 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.67 110.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.437 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -51.21 164.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 2.06 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.19 -149.0 17.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.1 . . . . 0.78 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.468 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 70.5 m -132.49 138.97 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 2.1 110.405 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 9.0 m-85 -138.05 160.71 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 3.21 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -132.87 117.59 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 3.48 109.312 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.61 100.55 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.66 109.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.65 126.71 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 1.62 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.587 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 37.9 p-90 -125.46 157.97 35.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.59 108.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 5.72 110.295 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.6 ' N ' HD13 ' A' ' 93' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.34 -0.615 . . . . 3.31 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.3 p -109.32 147.49 32.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.88 110.408 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.28 153.43 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.63 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.77 143.82 45.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.738 . . . . 0.86 109.994 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.0 t -125.84 99.6 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.85 109.251 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.412 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.5 t -85.0 146.12 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.66 110.439 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 12.8 p90 -155.59 147.97 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 3.17 110.964 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 14' ' ' GLU . 58.5 mtpt -102.01 163.07 12.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 3.37 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 97.9 t -138.94 120.83 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 1.7 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 4.47 109.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.297 -0.631 . . . . 1.84 109.297 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.39 -77.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 2.01 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -152.21 146.47 25.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.72 109.973 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.43 ' CB ' HD22 ' A' ' 23' ' ' LEU . 46.7 p -155.83 163.92 39.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.5 110.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.48 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.6 m -138.09 60.57 23.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.63 110.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.0 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.49 111.017 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.19 44.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.39 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.15 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.69 110.227 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 34.75 3.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.7 111.018 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.31 98.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 1.45 109.978 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -111.55 123.7 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 1.99 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.17 -48.2 0.52 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 1.18 110.948 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.94 167.56 12.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 1.98 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.5 130.64 85.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 2.19 109.236 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.97 146.28 32.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 1.24 110.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.25 -57.69 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.85 109.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -152.37 171.71 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.601 1.188 . . . . 3.99 109.246 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -105.36 140.63 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.55 109.281 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -113.95 147.5 38.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.86 110.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.882 HD11 HD11 ' A' ' 68' ' ' ILE . 13.1 mt -147.47 144.0 28.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.47 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.414 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 62.9 m-70 -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.95 109.673 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 19.9 m-85 -151.46 97.95 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 4.31 110.965 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 2.3 109.994 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.016 -0.834 . . . . 0.88 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.69 158.27 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 1.71 109.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -154.91 118.55 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 4.26 109.382 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 81' ' ' VAL . 5.7 tp -88.64 130.26 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.77 109.259 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 m -123.08 131.46 73.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.78 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 3.5 tmm? -88.77 95.33 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 3.36 110.97 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.3 t -106.68 60.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 2.03 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.07 109.279 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.57 0.224 . . . . 3.27 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.97 144.73 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.93 109.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.16 151.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.405 1.066 . . . . 2.08 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 130.84 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 3.89 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.71 174.89 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 1.6 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.48 144.43 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.74 109.245 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -111.3 125.79 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 2.83 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -125.61 174.77 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.22 110.031 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 1.14 111.02 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.328 -0.619 . . . . 4.54 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -99.26 128.06 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 2.25 110.464 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -126.4 155.05 42.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.9 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.12 121.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 3.03 109.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.882 HD11 HD11 ' A' ' 23' ' ' LEU . 1.3 mp -95.88 128.93 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 1.75 109.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.6 111.7 10.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 1.69 110.423 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 135.24 18.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.69 110.979 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.78 109.312 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -95.27 146.84 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.14 110.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.81 110.978 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.0 mt -77.67 116.33 18.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 1.95 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.9 p -91.32 168.44 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 1.71 110.416 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -49.24 150.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.87 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.16 -150.54 20.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.12 . . . . 0.71 111.043 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 m -134.06 134.1 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 1.6 110.399 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 21.5 m-85 -138.09 159.66 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 3.03 111.012 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.63 118.58 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 4.05 109.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 38' ' ' LEU . 48.0 t -94.62 105.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 1.6 109.273 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 117.42 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 1.85 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.645 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 31.9 p-90 -115.3 159.73 20.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.981 -1.118 . . . . 0.69 107.981 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 4.64 110.283 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.56 ' N ' HD13 ' A' ' 93' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 3.42 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.1 p -88.45 151.88 22.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 1.7 110.432 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.21 150.15 19.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.621 1.2 . . . . 0.59 111.068 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.83 142.59 38.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.91 109.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.16 110.85 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 1.67 109.342 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.3 t -90.64 141.58 28.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.64 110.411 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -153.97 147.59 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 3.04 111.011 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -103.82 167.21 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 4.54 109.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 81.2 t -142.31 119.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 1.66 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 4.23 109.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 2.19 109.307 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -55.86 -77.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.82 109.33 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -147.9 150.49 34.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.83 109.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.439 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 81.1 p -155.96 167.3 30.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 0.52 109.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 15.3 m -140.23 58.37 10.59 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 1.72 110.353 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.02 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.47 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 163.45 45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.52 109.308 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.03 110.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 2.36 110.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.53 35.05 0.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.538 1.149 . . . . 0.82 110.982 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.25 98.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 1.28 110.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -106.21 119.88 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.7 110.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.85 -50.76 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.431 1.082 . . . . 1.13 110.959 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.33 169.39 12.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 0.737 . . . . 1.84 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -67.9 137.33 92.38 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.12 109.299 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.43 21.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.424 1.749 . . . . 1.61 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.51 -51.33 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 2.25 109.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 157.18 37.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 4.01 109.282 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -100.34 137.87 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 1.48 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.9 tt0 -112.68 149.76 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.99 110.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.855 HD12 HD11 ' A' ' 68' ' ' ILE . 14.9 mt -147.64 143.54 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.62 109.326 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.442 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 55.9 m-70 -136.55 148.81 47.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.83 109.603 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 11.7 m-85 -149.42 95.79 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 3.68 111.043 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.69 109.982 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 1.04 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.08 159.89 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 2.29 109.295 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.13 118.48 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 4.66 109.313 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 46.5 tp -85.68 137.76 32.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 2.15 109.298 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.26 135.4 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 2.06 109.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.9 ttt -98.21 96.6 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 2.65 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -109.89 59.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 1.82 110.419 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 2.47 109.3 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.532 0.206 . . . . 5.47 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.98 144.33 56.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.9 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.44 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 11.6 p -130.03 155.86 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 2.5 109.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.55 134.63 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 5.14 109.278 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.26 174.87 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.86 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.65 146.15 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 2.22 109.292 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.03 121.76 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.95 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -117.54 175.46 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.54 110.007 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 1.42 111.038 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 3.31 109.258 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -102.13 118.25 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.89 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.5 150.55 38.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.71 110.949 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.16 115.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.18 109.203 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.855 HD11 HD12 ' A' ' 23' ' ' LEU . 1.5 mp -87.48 131.44 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.6 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -141.05 100.38 6.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.77 110.465 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.439 1.757 . . . . 0.96 110.958 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.83 82.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.87 109.323 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.98 139.89 88.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.41 109.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 1.16 110.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 37.3 mt -79.92 116.89 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.83 109.235 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 p -101.25 175.04 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 2.27 110.415 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.27 163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.66 109.325 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.66 -159.99 13.89 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.46 1.1 . . . . 0.64 111.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 88.9 m -128.03 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.623 0.837 . . . . 1.88 110.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.6 m-85 -141.73 169.18 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 3.28 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 114.82 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 3.4 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 38' ' ' LEU . 2.7 t -89.91 112.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 2.54 109.337 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.09 124.04 38.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 2.42 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.607 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 29.8 p-90 -120.4 157.49 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.75 108.007 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 3.98 110.321 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.244 -0.65 . . . . 4.9 109.244 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 p -97.28 162.19 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 2.2 110.473 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.55 157.41 29.12 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.486 1.116 . . . . 0.81 110.951 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.12 150.1 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 1.05 110.029 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 52.4 t -132.14 102.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.93 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.8 t -85.54 138.92 31.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.75 110.443 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 43.3 p90 -148.93 152.42 36.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 3.22 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -103.14 161.34 13.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.91 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 17' ' ' ALA . 96.2 t -138.17 118.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 1.7 109.231 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 4.08 109.271 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 1.88 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.0 -83.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 2.12 109.225 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' HD21 ' A' ' 4' ' ' LEU . 2.2 m -137.08 153.13 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.65 110.035 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 81.8 p -156.43 167.61 29.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.4 109.993 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 59.9 m -138.68 59.65 17.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.93 110.368 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -63.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.43 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 166.75 48.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 1.64 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.19 108.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 3.1 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 33.83 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.77 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.85 99.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.33 109.941 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.66 120.67 43.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.75 110.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.6 -46.5 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.24 110.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.14 167.42 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 0.729 . . . . 2.04 109.356 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.59 138.34 83.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 2.28 109.276 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.0 129.62 12.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 1.57 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.81 -52.49 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 1.9 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 146.64 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 3.3 109.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -89.04 138.86 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 1.51 109.31 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.4 tt0 -110.9 149.71 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 2.13 110.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 68' ' ' ILE . 12.9 mt -147.67 144.6 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.58 109.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -134.73 157.14 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 1.02 109.582 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.1 m-85 -154.68 114.58 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 3.57 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.6 110.003 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.956 -0.857 . . . . 0.94 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.6 158.5 44.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 1.82 109.283 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.95 128.83 8.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 3.42 109.236 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 81' ' ' VAL . 6.7 tp -96.81 142.68 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 1.87 109.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.57 136.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 1.94 109.287 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.4 tmm? -88.17 95.68 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 3.23 110.984 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -106.96 64.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 2.06 110.371 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.12 109.285 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.54 0.209 . . . . 3.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.25 145.02 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.96 109.281 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 4.2 p -110.9 142.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 1.85 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -72.09 102.17 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 4.41 109.315 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.41 174.59 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.89 109.25 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.24 138.84 38.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.73 109.29 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -101.77 119.7 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 3.78 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.5 m -115.24 173.85 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.47 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 1.36 111.058 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.275 -0.639 . . . . 2.56 109.275 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -98.76 134.16 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.96 110.426 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.98 145.85 51.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 2.25 110.986 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.09 117.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 3.17 109.263 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.452 ' CD1' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -86.02 121.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.83 109.212 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.483 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.7 OUTLIER -132.84 95.78 18.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.88 110.366 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 135.79 19.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.99 111.011 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.47 82.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 2.09 109.326 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.51 138.63 35.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.09 109.95 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.02 15.97 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.828 . . . . 0.83 110.992 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 29.7 mt -79.91 116.14 19.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.91 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -86.62 172.21 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.81 110.42 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.49 171.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.75 109.252 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.16 -152.64 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.73 111.017 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.467 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -129.86 136.04 49.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 2.03 110.432 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.9 m-85 -137.44 150.2 47.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 3.42 111.016 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.58 114.93 14.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 2.67 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' CD1' ' A' ' 38' ' ' LEU . 22.3 t -89.17 150.67 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 2.26 109.241 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -130.63 121.12 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 2.16 109.224 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.637 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 22.9 p-90 -116.07 157.22 25.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.6 108.03 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.74 110.328 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.409 ' H ' HD13 ' A' ' 93' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.246 -0.65 . . . . 3.79 109.246 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -119.3 167.6 11.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 2.35 110.449 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 177.59 156.74 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.569 1.168 . . . . 0.56 111.001 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.13 158.71 43.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.89 109.999 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -138.1 108.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.71 109.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -89.95 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 1.62 110.396 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 24.0 p90 -151.82 150.16 29.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 3.19 110.987 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -100.94 168.2 9.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 3.41 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.6 t -144.19 117.62 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.92 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 5.16 109.319 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.558 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.316 -0.624 . . . . 1.97 109.316 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 4' ' ' LEU . 85.2 t -57.1 -79.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.76 109.372 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.417 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.5 m -145.3 151.83 38.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.63 109.938 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.447 ' CB ' HD22 ' A' ' 23' ' ' LEU . 73.9 p -155.88 166.36 33.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.35 110.0 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.516 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.0 m -136.71 58.9 21.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 2.16 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.98 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.52 111.03 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 164.48 46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.68 109.352 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.55 107.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 2.14 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.95 51.39 4.14 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.102 . . . . 0.82 111.037 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.43 101.7 14.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.37 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.97 123.38 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.01 110.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.02 -50.57 0.5 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.133 . . . . 1.43 111.019 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.68 170.24 8.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 0.826 . . . . 1.95 109.242 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -90.47 136.34 28.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 2.83 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 1.41 111.005 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -50.6 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 2.22 109.338 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 155.25 33.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 5.01 109.288 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.76 145.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 1.54 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 3.2 tt0 -113.97 148.48 36.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 2.41 110.228 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 68' ' ' ILE . 14.4 mt -148.52 142.77 26.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 1.52 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -135.21 159.83 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.88 109.607 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 19.9 m-85 -154.99 151.9 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 3.48 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 2.11 109.916 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.972 -0.851 . . . . 0.91 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 167.54 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 0.717 . . . . 1.96 109.321 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -155.33 129.48 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.1 109.344 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -96.13 133.54 40.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 1.92 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.38 139.77 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.65 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.444 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.5 tmm? -93.95 96.68 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 3.54 110.99 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 41' ' ' THR . 10.0 t -116.66 79.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.95 110.407 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 2.19 109.258 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.503 0.192 . . . . 3.75 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.72 149.4 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 2.02 109.245 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.0 p -102.22 155.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 2.25 109.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -87.91 84.36 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 4.14 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.27 173.99 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 1.69 109.251 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.63 149.66 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.08 109.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -101.58 126.84 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 3.56 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -132.27 136.88 47.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 1.31 109.993 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.99 110.998 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.3 -0.63 . . . . 2.81 109.3 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -91.28 131.6 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.89 110.34 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.88 135.71 43.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 2.25 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' SER . 2.7 m -134.24 123.69 44.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 3.13 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.568 HD11 HD11 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.68 120.4 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 1.69 109.319 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.38 105.06 33.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.65 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 134.89 18.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.53 111.031 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.19 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.89 109.264 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 150.01 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.82 110.041 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.79 17.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.84 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 28.9 mt -81.56 116.33 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.67 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -93.8 172.89 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 1.64 110.427 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -49.32 175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.92 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.71 -153.17 17.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.78 111.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m -134.77 134.19 40.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.78 110.35 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 13.3 m-85 -132.9 167.14 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 3.22 110.961 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 116.78 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 3.27 109.318 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 t -90.98 104.19 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 1.78 109.304 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.0 115.65 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.07 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.591 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 46.5 p-90 -112.8 154.94 25.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.53 108.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 4.24 110.244 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.315 -0.624 . . . . 3.6 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.2 p -115.54 140.69 48.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 1.74 110.413 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -149.33 162.24 28.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.56 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.42 143.88 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.07 109.984 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 24.2 t -130.58 97.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.7 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.6 t -84.56 139.41 32.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.87 110.402 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.0 p90 -152.61 149.26 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 3.14 110.94 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -99.78 166.69 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 3.96 109.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.5 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -145.65 116.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 1.76 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 4.97 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.568 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.23 -0.655 . . . . 2.21 109.23 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.02 -78.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.83 109.251 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -146.17 151.93 38.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.77 110.02 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.457 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . 22.3 p -157.37 164.31 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.46 110.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.488 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.9 m -135.47 60.08 35.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.62 110.419 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.99 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.41 111.01 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.03 43.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.42 109.295 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.98 109.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.24 110.299 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.68 38.37 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.79 111.045 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 96.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 1.29 109.908 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -102.66 125.16 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.81 110.298 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.36 -45.97 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 1.26 110.974 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.03 162.22 15.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 2.27 109.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -87.59 140.79 31.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 2.97 109.351 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.92 150.2 38.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.48 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -43.93 91.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 2.24 109.292 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.88 147.78 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.75 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -86.31 140.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 1.5 109.307 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 mt-10 -110.4 146.98 34.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.95 110.328 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 11.4 mt -147.86 144.69 28.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 1.68 109.359 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.0 m-70 -136.41 155.74 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.69 109.584 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 52.8 m-85 -154.84 103.48 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 3.35 111.074 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.71 110.025 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.983 -0.847 . . . . 1.29 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.27 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 1.72 109.26 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -155.18 128.67 8.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 3.13 109.294 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 81' ' ' VAL . 7.0 tp -96.52 131.91 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.74 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 m -127.54 134.24 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.76 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.55 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -87.54 90.68 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 2.65 110.959 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.66 60.0 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 2.12 110.357 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 2.75 109.241 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.477 0.179 . . . . 3.03 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.93 145.59 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 2.59 109.282 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.78 136.12 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.86 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -61.94 96.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 4.46 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.99 174.84 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.6 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.66 139.5 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.78 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG22 HD12 ' A' ' 68' ' ' ILE . 84.8 t -97.31 124.6 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 3.59 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -139.66 133.12 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.06 109.974 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 1.01 110.993 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.3 pttt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 3.1 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.42 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.7 m -113.06 123.41 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.76 110.396 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 mpp? -106.88 150.89 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 2.15 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -144.7 114.94 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 2.72 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.442 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -86.53 118.73 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.7 109.342 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.01 111.11 37.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.89 110.419 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.92 18.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.94 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.6 -25.96 62.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.78 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 157.01 47.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.24 110.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 130.63 13.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.85 110.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.5 mt -76.56 116.13 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.76 109.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 p -85.18 170.83 12.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.61 110.367 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.516 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -52.6 178.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.6 109.351 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.99 -147.38 16.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.61 111.081 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.6 m -133.34 140.28 47.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 1.79 110.39 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.9 m-85 -139.97 160.83 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 3.42 110.985 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 115.64 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 3.47 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 38' ' ' LEU . 43.9 t -94.98 106.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.76 109.335 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 123.35 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.89 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.6 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 21.2 p-90 -120.41 157.71 28.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.73 108.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 5.77 110.287 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.336 -0.616 . . . . 3.41 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.8 p -91.99 154.04 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 1.88 110.407 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -174.22 156.07 22.71 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.164 . . . . 0.68 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.82 158.67 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 1.13 109.953 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 71.9 t -135.4 101.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.84 109.287 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -86.82 143.13 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 1.88 110.366 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.0 p90 -152.93 158.16 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 3.06 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -109.61 164.86 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 4.92 109.32 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.516 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 68.1 t -142.65 122.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.67 109.31 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.47 109.275 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.314 -0.624 . . . . 1.72 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 4' ' ' LEU . 99.2 t -57.76 -81.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 1.74 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.408 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -141.22 145.49 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.68 110.047 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.427 ' CB ' HD23 ' A' ' 23' ' ' LEU . 51.5 p -156.21 163.43 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.39 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.4 m -138.84 59.54 16.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.99 110.359 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.09 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.43 110.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.29 44.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.52 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.43 105.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.07 110.237 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.39 35.73 2.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.78 111.031 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.55 98.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.77 . . . . 1.4 110.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.52 119.93 40.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.87 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.19 -55.32 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.15 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.07 173.37 5.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 1.85 109.315 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' HG11 ' A' ' 101' ' ' VAL . . . -68.63 128.57 92.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 2.16 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.8 36.43 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.397 1.735 . . . . 1.17 110.964 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 -64.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 2.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -153.82 156.32 37.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 3.63 109.33 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.02 140.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 1.51 109.275 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -116.87 147.68 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 2.29 110.347 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 HD11 ' A' ' 68' ' ' ILE . 11.5 mt -147.5 145.31 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 1.59 109.287 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -139.52 156.94 46.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.76 109.569 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 93.3 m-85 -154.57 115.09 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 3.8 111.017 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.62 110.023 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 0.89 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.44 160.22 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 1.73 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.64 126.32 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 4.34 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 74' ' ' LEU . 15.5 tp -93.47 141.43 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 1.7 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.419 ' CG2' ' HG2' ' A' ' 80' ' ' LYS . 5.7 m -135.88 137.11 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.64 109.247 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.55 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -90.85 96.96 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 2.76 110.957 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -108.12 59.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 1.92 110.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 2.0 109.259 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.44 0.162 . . . . 3.47 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.55 148.18 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.66 109.258 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.16 169.42 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 1.97 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -94.73 113.78 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 4.06 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 70' ' ' PRO . . . -146.95 172.99 12.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.62 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.17 143.87 40.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.77 109.279 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 68' ' ' ILE . 12.5 m -107.71 125.8 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 2.84 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -134.96 148.73 50.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.99 110.003 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.97 111.036 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 pttt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.26 -0.644 . . . . 2.6 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -90.16 130.3 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.95 110.421 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -127.39 148.83 50.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 2.09 111.05 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.15 120.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 3.22 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.464 HD11 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -91.46 127.29 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.8 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.07 99.21 13.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 1.95 110.356 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.08 18.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.75 111.011 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.71 66.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 2.51 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.33 137.83 22.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.97 109.931 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.01 13.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 1.03 110.993 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' HD23 ' A' ' 38' ' ' LEU . 24.0 mt -74.9 117.62 16.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 2.03 109.289 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' OH ' ' A' ' 79' ' ' TYR . 43.1 p -84.44 168.57 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.74 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -49.72 156.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.73 109.231 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.28 -154.19 20.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.59 110.996 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.4 m -130.99 135.97 48.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.724 . . . . 1.66 110.334 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.8 m-85 -141.03 163.2 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 3.55 111.029 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 47.3 pttt -136.36 119.6 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 4.62 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -90.68 105.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 1.76 109.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.58 111.16 22.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.62 109.336 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.646 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 28.1 p-90 -109.12 158.69 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.57 108.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 4.37 110.287 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.327 -0.62 . . . . 3.39 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.9 p -85.73 140.21 30.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.94 110.4 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.01 162.0 29.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.52 110.955 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.38 144.48 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 1.01 110.004 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 41.2 t -128.12 106.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.135 . . . . 1.64 109.366 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 t -87.45 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.71 110.403 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.82 152.05 32.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 3.19 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -104.0 165.57 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 2.87 109.336 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.509 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 77.6 t -144.2 114.18 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.73 109.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 4.2 109.262 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 83' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.63 . . . . 2.3 109.3 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -55.36 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.11 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 153.26 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.71 109.973 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 81.3 p -156.57 168.33 27.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.42 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.532 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 25.9 m -141.91 57.81 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.73 110.387 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -58.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.56 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 99' ' ' PHE . . . 170.5 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.32 109.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.95 106.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 2.47 110.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.63 38.51 1.54 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.73 111.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.2 94.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 1.48 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.46 128.14 54.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.93 110.268 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.43 -43.34 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.46 110.953 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.7 161.56 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 2.14 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.06 139.23 49.29 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 2.51 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 1.57 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 -53.32 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.87 109.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -154.69 157.84 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 3.83 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.9 138.92 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.59 109.271 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.404 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -113.23 149.09 34.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 1.6 110.28 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 15.8 mt -148.43 143.71 26.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 1.77 109.385 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -136.09 149.26 48.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.68 109.601 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 4' ' ' LEU . 8.1 m-85 -154.93 121.54 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.93 111.017 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.65 109.947 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.981 -0.848 . . . . 1.77 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.29 173.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 2.18 109.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -155.23 131.6 10.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 3.61 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -96.39 138.48 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 2.27 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.01 142.7 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.61 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -91.96 96.46 10.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 2.54 110.988 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -117.98 59.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 1.96 110.441 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.387 1.054 . . . . 2.02 109.305 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.583 0.23 . . . . 3.57 110.957 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.31 140.76 58.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.083 . . . . 1.92 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.5 138.48 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 2.32 109.354 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.16 100.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 5.4 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.97 172.69 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 2.14 109.305 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.88 149.37 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.68 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.54 130.85 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 2.96 109.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -144.56 133.02 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.22 110.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.87 110.945 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 2.77 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -107.21 124.92 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 2.06 110.395 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.18 147.19 27.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.85 111.074 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.86 114.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 2.7 109.38 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.48 122.77 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 1.73 109.32 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.25 111.13 23.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.98 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.68 111.015 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.43 -25.27 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 2.01 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.78 150.3 38.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.93 109.951 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 130.98 13.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.9 111.041 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.3 mt -76.63 115.36 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.612 1.195 . . . . 1.94 109.355 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -99.07 169.43 9.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 2.04 110.395 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -41.04 157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 1.74 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.21 -147.81 18.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.65 111.007 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -154.23 134.1 13.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 1.64 110.395 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -136.27 175.07 9.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 3.25 110.965 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.54 113.96 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 3.51 109.352 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.12 107.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.85 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.38 117.85 30.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 2.05 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.569 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 54.3 p-90 -112.34 154.55 25.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.92 107.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 4.26 110.286 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.634 . . . . 3.21 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -121.13 150.53 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 2.22 110.393 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -159.2 160.11 30.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.74 111.038 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.04 142.37 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.19 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 84.9 t -128.2 103.31 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 1.94 109.362 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -85.24 145.19 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.71 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -155.31 147.43 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 3.29 110.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -102.94 167.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 3.03 109.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 96.4 t -143.34 121.65 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.71 109.308 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 3.19 109.288 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.618 . . . . 1.88 109.33 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 t -51.8 -76.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 2.49 109.313 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -153.33 150.99 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.95 109.982 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 77.5 p -156.85 166.52 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.59 109.986 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 m -137.09 58.34 17.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.99 110.411 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -74.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.37 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.35 43.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 1.77 109.331 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -41.58 107.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 2.26 110.272 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.28 34.17 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.525 1.141 . . . . 0.76 110.999 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.97 100.33 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 1.31 110.014 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -105.45 118.7 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.99 110.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.53 -50.13 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.25 111.024 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.94 173.76 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 0.808 . . . . 1.98 109.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.15 134.43 52.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.66 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 163.87 34.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 1.23 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.41 -51.58 35.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 1.86 109.294 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 149.02 25.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 3.89 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.83 142.22 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 1.59 109.349 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -114.66 149.22 37.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 2.48 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 13.0 mt -148.32 145.3 28.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 1.81 109.36 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -138.62 150.36 46.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 1.02 109.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 80.7 m-85 -154.93 123.06 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 4.3 110.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 2.79 110.02 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.96 -0.856 . . . . 1.32 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HD12 ' A' ' 68' ' ' ILE . . . -153.87 149.56 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 2.48 109.335 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -154.41 111.5 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.24 109.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 74' ' ' LEU . 10.0 tp -92.38 138.89 31.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 2.08 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 m -134.51 141.37 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 1.81 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.3 96.48 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 3.35 111.036 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -112.17 60.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 2.13 110.391 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.52 109.318 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.1 mtp . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.557 0.218 . . . . 4.91 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.53 152.53 22.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 2.02 109.273 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.66 162.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.87 109.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -87.3 105.1 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 4.71 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.25 169.22 18.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.84 109.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.02 138.48 43.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 1.74 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -102.19 123.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 3.01 109.288 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -123.06 175.34 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.12 109.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 1.09 111.043 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 pttt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.302 -0.629 . . . . 3.37 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -90.87 134.61 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 2.15 110.382 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.81 151.08 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 2.33 111.019 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.81 124.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.74 109.259 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.452 HD12 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -94.08 120.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 1.82 109.35 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.8 95.54 39.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.7 110.45 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.85 110.963 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.02 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.87 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.39 138.17 22.5 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.26 110.051 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.84 12.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.529 1.805 . . . . 0.97 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -76.15 116.25 16.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 2.5 109.373 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -86.29 168.13 14.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 2.07 110.451 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.73 165.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.99 109.268 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.14 -148.49 17.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.94 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.419 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.1 m -137.15 131.52 32.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 0.716 . . . . 2.41 110.416 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.0 m-85 -134.58 171.43 14.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 3.3 110.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 120.5 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 3.13 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.5 t -95.92 119.04 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.97 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -101.63 117.58 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 2.3 109.302 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.577 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 49.0 p-90 -110.98 157.01 20.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.11 107.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 4.01 110.294 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.326 -0.62 . . . . 4.39 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 p -118.43 148.11 42.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 2.14 110.398 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.23 154.77 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.397 1.061 . . . . 1.08 111.054 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.85 152.91 48.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 1.14 109.964 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 t -141.13 105.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 1.89 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 t -88.08 138.88 31.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 1.87 110.416 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -148.62 153.52 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 3.21 110.969 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.56 166.3 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 3.62 109.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 72.9 t -143.8 116.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 1.99 109.343 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 3.52 109.313 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.238 -0.653 . . . . 2.24 109.238 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' N ' HD21 ' A' ' 4' ' ' LEU . 92.8 t -59.32 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.88 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.71 148.12 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.63 109.998 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 37.4 p -157.22 163.76 38.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.5 110.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.491 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 23.6 m -136.88 59.9 26.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 2.04 110.369 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 -78.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.53 111.024 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 44.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.74 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.12 108.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.87 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.18 36.96 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 1.12 111.029 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.66 98.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 1.42 109.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.06 121.61 43.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.48 110.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.45 -56.5 0.31 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.112 . . . . 1.36 111.009 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.45 173.57 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 2.19 109.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 130.7 85.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.17 109.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 161.19 39.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.818 . . . . 1.31 110.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.76 -59.99 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 1.97 109.278 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -155.31 150.47 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 4.5 109.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.77 139.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 1.61 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.415 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.1 tt0 -113.68 147.17 38.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.5 110.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 68' ' ' ILE . 9.6 mt -146.99 141.65 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 2.05 109.245 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -133.43 157.24 46.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.67 109.567 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 6.4 m-85 -155.44 120.53 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 3.82 111.016 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 1.63 109.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 1.03 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.16 160.61 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.77 109.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 129.37 8.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.55 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 81' ' ' VAL . 15.8 tp -89.88 138.06 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 1.73 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.59 134.36 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 2.08 109.337 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.552 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.6 tmm? -86.14 92.4 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 3.98 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.552 HG21 ' HZ1' ' A' ' 80' ' ' LYS . 8.7 t -117.99 59.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 2.75 110.38 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 2.61 109.298 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.489 0.185 . . . . 3.36 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.82 48.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 2.15 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -118.56 148.91 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 2.02 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.97 105.05 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 5.34 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.63 174.14 10.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.81 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.94 139.16 45.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 2.25 109.247 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.67 123.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 3.68 109.342 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.41 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 23.5 m -111.25 173.02 6.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 2.3 109.979 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 1.52 110.984 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.34 -0.615 . . . . 2.56 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 m -90.96 126.98 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.6 110.355 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -125.3 149.36 48.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 2.09 110.968 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 58' ' ' SER . 0.1 OUTLIER -142.33 113.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 3.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -84.68 120.56 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 1.96 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.72 101.92 12.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 2.16 110.385 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 136.29 20.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.72 110.986 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.79 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 2.16 109.269 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.07 144.13 27.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.32 109.957 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.48 10.76 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 1.39 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 38' ' ' LEU . 26.7 mt -68.55 116.02 8.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.84 109.242 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -86.2 174.26 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 1.86 110.481 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.84 164.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 2.25 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.82 -151.84 17.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 1.08 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.5 m -146.46 132.26 19.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 1.97 110.387 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -136.2 170.4 16.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 3.76 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.552 ' HZ1' HG21 ' A' ' 41' ' ' THR . 2.1 pttt -139.72 120.59 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 5.39 109.283 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 38' ' ' LEU . 3.4 t -86.57 109.63 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 2.41 109.35 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.53 122.07 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.65 109.268 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.601 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 39.1 p-90 -118.61 158.02 26.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.8 107.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 3.58 110.284 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.303 -0.628 . . . . 3.71 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.0 p -85.32 142.66 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.75 110.377 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -167.35 149.91 15.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.95 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.91 152.49 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 0.812 . . . . 1.84 110.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.5 t -122.85 112.08 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.76 109.296 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 t -89.82 136.76 32.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 1.86 110.363 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.9 p90 -147.76 154.62 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 3.1 111.027 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' CD ' ' OG1' ' A' ' 78' ' ' THR . 10.1 mttt -105.99 166.08 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 4.63 109.242 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 17' ' ' ALA . 56.7 t -147.8 113.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.86 109.302 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 4.03 109.31 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.53 ' CB ' ' CH2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.322 -0.621 . . . . 2.32 109.322 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.57 -69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 1.79 109.295 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -153.77 156.07 37.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.04 110.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 77.6 p -156.72 169.04 25.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.55 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -137.51 57.09 13.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 2.02 110.393 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -74.97 -67.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.51 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.72 44.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 1.44 109.252 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.54 104.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 2.87 110.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.79 35.04 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.575 1.172 . . . . 0.92 111.07 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 100.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 1.66 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -111.26 117.31 32.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.83 110.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.59 -39.66 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 1.19 111.061 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.36 161.79 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 2.1 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.01 137.98 53.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.77 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.68 19.55 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 1.58 111.027 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.81 -47.98 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 2.53 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.84 156.46 40.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 3.91 109.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -93.04 145.08 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 1.54 109.218 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -112.91 151.69 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 2.84 110.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.675 HD12 HD11 ' A' ' 68' ' ' ILE . 16.9 mt -147.32 144.2 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 2.05 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 59.7 m-70 -133.89 157.48 45.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.31 109.58 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.465 ' CE1' HD23 ' A' ' 4' ' ' LEU . 36.1 m-85 -155.46 104.86 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 3.55 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 2.22 109.994 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 1.08 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.36 174.87 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 2.15 109.341 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mtpt -155.87 132.18 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 4.78 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 81' ' ' VAL . 9.3 tp -99.8 140.93 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 1.92 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.0 132.53 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 2.14 109.311 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.47 97.37 10.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 3.15 110.973 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 t -102.67 59.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 2.59 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.13 109.281 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.522 0.201 . . . . 4.55 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.71 140.6 29.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 2.27 109.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.6 158.2 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 2.03 109.27 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -91.09 128.88 37.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 7.42 109.276 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.82 173.83 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 1.97 109.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.84 148.17 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.98 109.326 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.51 121.14 65.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 2.74 109.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -119.9 175.37 5.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.22 110.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 1.17 110.922 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.293 -0.632 . . . . 4.04 109.293 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -107.24 124.28 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 2.06 110.375 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.473 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.47 155.99 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.02 110.993 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.36 122.7 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 2.85 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 23' ' ' LEU . 1.1 mp -93.1 124.89 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.7 109.26 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.7 OUTLIER -127.96 101.22 23.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 1.98 110.381 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.16 18.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.92 110.967 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.56 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.84 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -76.75 144.51 73.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 2.04 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.563 1.823 . . . . 1.95 110.978 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.35 116.59 22.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 1.78 109.31 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.7 p -100.75 167.96 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.6 110.401 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -44.13 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 1.82 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.88 -152.32 16.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.398 1.061 . . . . 0.57 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.487 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.3 m -135.46 134.82 39.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 0.783 . . . . 1.69 110.359 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -138.77 158.69 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 3.15 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.451 ' HE3' ' CB ' ' A' ' 96' ' ' SER . 1.6 tttp -134.3 111.61 10.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 3.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 38' ' ' LEU . 29.5 t -85.69 111.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.89 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.58 117.26 33.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.4 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.583 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 36.8 p-90 -104.7 141.03 37.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.79 108.04 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 4.16 110.323 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.242 -0.651 . . . . 4.9 109.242 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -115.38 167.63 10.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 2.31 110.411 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.585 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.3 174.44 29.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.83 111.027 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -146.18 144.72 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 0.711 . . . . 1.62 109.994 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.494 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -133.44 101.32 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.79 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 t -84.75 142.07 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.88 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 26.5 p90 -158.17 146.55 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 3.08 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -97.18 171.09 8.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 3.12 109.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 32.0 t -142.51 124.95 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 1.84 109.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 3.26 109.292 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 1.1 tm? . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.3 -0.63 . . . . 2.52 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.414 ' N ' HD21 ' A' ' 4' ' ' LEU . 53.6 t -55.52 -66.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.13 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -155.81 150.67 26.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 1.09 109.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.448 ' CB ' HD23 ' A' ' 23' ' ' LEU . 62.4 p -156.96 166.01 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.71 109.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.502 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 m -137.64 59.33 19.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.98 110.457 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.05 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.73 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 47.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.53 109.248 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.37 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.53 34.32 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 1.01 110.961 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -69.71 98.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 1.27 110.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 28.7 mt-10 -109.04 122.51 47.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 1.89 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.85 -46.4 0.62 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 1.41 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.56 162.32 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 1.82 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.52 137.32 36.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 2.23 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.458 1.767 . . . . 1.61 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.92 -50.28 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 2.27 109.276 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 157.63 37.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 4.36 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.75 139.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.43 109.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -109.29 147.7 32.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 2.75 110.296 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 15.4 mt -147.55 141.05 25.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.97 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -133.45 150.93 51.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.23 109.607 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 4' ' ' LEU . 14.1 m-85 -155.53 128.04 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 3.67 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 1.73 110.031 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 2.02 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -154.97 172.95 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 2.17 109.369 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -155.48 128.62 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 4.83 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 7.3 tp -90.23 141.89 28.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.7 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.51 133.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.78 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.8 ttm -91.72 97.9 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 3.85 111.032 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -113.83 59.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.78 110.411 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 3.08 109.286 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.3 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 3.15 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 138.91 45.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.81 109.256 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 4.4 p -106.09 168.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.82 109.339 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -91.83 93.34 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 5.27 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.89 175.32 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.97 109.332 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.31 154.62 46.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.82 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.9 127.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 2.91 109.272 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -140.56 130.96 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.26 110.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.541 1.15 . . . . 1.19 111.009 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 pttt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.301 -0.629 . . . . 3.43 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -100.16 129.25 46.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.13 110.423 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.493 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.83 154.27 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.65 111.037 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -146.15 119.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 2.99 109.28 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.18 122.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 1.51 109.368 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.31 110.07 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 1.61 110.415 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.46 19.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.69 111.077 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.86 -20.7 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.69 109.349 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 152.58 42.23 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.1 . . . . 0.89 109.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.61 16.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 1.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.9 116.16 22.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 2.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 p -101.83 166.44 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.99 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.483 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -40.64 154.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.78 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.93 -155.55 22.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 1.02 110.985 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -141.33 130.08 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.96 110.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -134.27 175.11 9.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.394 1.059 . . . . 3.03 110.952 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.24 115.62 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 3.69 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.16 106.67 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 1.92 109.362 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -93.95 110.08 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 2.37 109.228 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.6 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 50.2 p-90 -105.76 154.22 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.045 -1.095 . . . . 0.9 108.045 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 4.17 110.363 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 93' ' ' ILE . 5.8 mm . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.337 -0.616 . . . . 4.85 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 p -118.81 168.83 10.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 2.1 110.439 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -168.89 160.58 34.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.421 1.075 . . . . 0.85 111.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.77 140.77 22.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 1.22 110.018 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 20.2 t -128.12 103.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 1.79 109.351 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -84.45 141.43 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.97 110.379 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -152.83 149.02 27.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 3.28 111.044 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.446 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.4 mtpt -104.19 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 3.89 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 73.0 t -144.29 122.09 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.65 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 3.37 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 1.78 109.281 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.433 ' N ' HD22 ' A' ' 4' ' ' LEU . 65.1 t -58.95 -80.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 2.09 109.318 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.33 149.9 38.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.85 110.012 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.454 ' CB ' HD22 ' A' ' 23' ' ' LEU . 62.3 p -156.24 165.08 37.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.53 110.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.518 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m -137.87 58.58 16.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 2.18 110.374 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.91 -63.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.53 111.083 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 167.65 46.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.63 109.3 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.72 110.99 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 3.23 110.294 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 35.24 3.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.84 111.001 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.69 93.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 1.48 110.031 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.39 122.84 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 2.1 110.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.92 -47.16 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.22 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.03 166.4 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 2.07 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' CB ' HG11 ' A' ' 101' ' ' VAL . . . -72.93 137.72 79.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.12 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.92 29.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 1.45 110.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -53.46 55.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.69 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.32 146.7 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 3.95 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.3 143.2 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.82 109.318 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.3 tt0 -117.33 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 1.59 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 7' ' ' SER . 13.5 mt -147.47 145.08 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.53 109.361 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.473 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.9 m-70 -137.23 158.84 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.71 109.55 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 29.8 m-85 -155.0 108.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 3.51 110.999 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.88 110.003 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.05 -0.82 . . . . 1.1 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' HD12 ' A' ' 68' ' ' ILE . . . -135.99 153.43 51.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 1.6 109.314 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -151.71 124.18 8.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 4.72 109.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD22 ' CD2' ' A' ' 74' ' ' LEU . 10.9 tp -96.42 129.52 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 2.29 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.79 136.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 1.95 109.305 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.0 ttm -86.64 96.38 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 3.16 110.929 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 t -103.83 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 2.2 110.461 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 2.01 109.314 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 3.09 110.986 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 148.78 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.95 109.242 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.53 123.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 2.16 109.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -56.44 104.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 4.21 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.27 169.62 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 1.54 109.236 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.41 143.24 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.77 109.29 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -99.09 127.24 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 3.17 109.339 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -140.95 135.36 31.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.14 109.976 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 1.16 110.943 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 pttm . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.236 -0.653 . . . . 3.72 109.236 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.456 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.1 m -108.79 120.87 43.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 1.81 110.405 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.471 ' HE2' ' CA ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -105.52 159.85 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 2.74 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -149.87 120.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 2.95 109.271 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -94.31 120.0 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 1.67 109.218 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.87 110.79 33.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.545 1.153 . . . . 1.58 110.387 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.32 18.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.59 110.976 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.69 -23.61 61.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.94 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.4 148.35 38.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.85 109.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 128.54 11.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.81 110.946 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.5 mt -77.18 115.57 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 1.73 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -90.72 173.59 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 2.03 110.408 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.91 163.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.76 109.33 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -154.58 16.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.75 110.938 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.585 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.6 m -127.91 143.49 51.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 1.94 110.404 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.0 m-85 -143.52 156.73 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 3.3 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.79 117.37 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 4.17 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 52.1 t -97.24 101.07 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.71 109.275 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -88.19 126.64 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.69 109.253 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.598 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 20.5 p-90 -123.9 157.37 34.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.56 108.064 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 4.1 mtm105 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 4.92 110.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.336 -0.616 . . . . 3.72 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.8 p -88.55 152.67 21.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 2.32 110.397 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -177.25 160.09 26.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.71 111.026 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.5 156.3 41.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.804 . . . . 0.88 109.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 57.4 t -131.68 102.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.01 109.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.472 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.9 t -85.81 142.26 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 1.69 110.383 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -152.16 153.77 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 3.14 110.98 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -107.78 161.68 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 3.33 109.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' A' ' 17' ' ' ALA . 47.8 t -135.23 121.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 1.77 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 3.59 109.296 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.34 -0.615 . . . . 1.77 109.34 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 4' ' ' LEU . 92.5 t -57.69 -83.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.94 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -134.45 149.55 50.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.448 1.093 . . . . 0.56 109.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.421 ' CB ' HD21 ' A' ' 23' ' ' LEU . 77.9 p -157.34 165.45 35.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.44 109.96 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.509 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.8 m -138.22 59.21 17.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.57 110.384 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.07 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.43 110.96 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.5 44.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.86 109.271 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.51 107.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 3.63 110.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.94 36.16 1.79 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.427 1.079 . . . . 0.87 111.012 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.52 96.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 1.36 110.017 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.64 124.88 52.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 2.24 110.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.52 -43.01 1.04 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.448 1.093 . . . . 1.41 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.14 161.59 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 2.37 109.351 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' HG11 ' A' ' 101' ' ' VAL . . . -83.76 136.25 42.11 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 2.5 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.55 40.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 1.3 111.025 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.13 25.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.69 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -155.2 153.35 30.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 3.27 109.258 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -85.15 142.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 1.84 109.262 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -117.21 150.62 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.74 110.257 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 11.4 mt -147.59 143.55 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.68 109.266 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -133.45 156.02 48.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.98 109.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 5.7 m-85 -153.53 118.79 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 3.94 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.67 109.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.986 -0.846 . . . . 0.78 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 68' ' ' ILE . . . -150.69 162.04 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 1.74 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -155.29 128.71 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 3.09 109.343 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -98.75 143.09 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.9 109.315 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.2 138.09 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 2.06 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.567 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.37 96.95 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 3.36 111.019 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -111.06 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 2.14 110.369 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 2.09 109.301 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.51 0.195 . . . . 3.82 111.005 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.78 143.84 24.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 1.87 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.72 150.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 2.06 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 93.59 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 5.54 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.02 174.4 10.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 1.69 109.295 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.66 138.53 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 1.75 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.92 130.43 45.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 3.01 109.218 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 m -119.7 175.27 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.66 109.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.168 . . . . 1.68 110.971 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.349 -0.611 . . . . 3.27 109.349 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -91.2 119.37 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.87 110.375 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.484 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.9 mpp? -113.16 152.76 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.76 110.946 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.36 109.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 3.07 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.409 HD12 ' HB1' ' A' ' 36' ' ' ALA . 1.1 mp -85.11 123.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 1.5 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.65 105.94 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 1.81 110.415 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.39 19.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.58 111.068 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.55 87.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.85 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.4 150.02 38.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.24 109.968 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 128.12 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 1.18 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -70.47 116.83 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.84 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -88.89 174.3 8.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 2.03 110.416 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -52.8 178.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.79 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.05 -147.71 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.9 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 97.2 m -140.86 143.36 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.737 . . . . 1.88 110.354 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' THR . 2.4 m-85 -144.98 161.79 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 3.16 110.887 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.45 114.25 10.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 2.7 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.0 t -85.48 152.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.11 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -135.09 123.52 23.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.93 109.371 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.602 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 44.3 p-90 -117.37 157.42 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.66 107.977 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.96 110.299 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.49 HD13 HG22 ' A' ' 93' ' ' ILE . 35.1 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.255 -0.646 . . . . 3.48 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 p -130.45 147.65 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 1.72 110.466 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 159.75 32.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.72 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.06 154.3 49.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 1.08 109.969 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.66 111.0 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 2.1 109.228 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -90.28 142.86 27.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 1.61 110.415 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.7 p90 -157.57 148.63 21.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 3.32 111.052 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -107.47 168.89 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 3.55 109.277 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 57.8 t -143.8 127.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.88 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 3.19 109.326 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.299 -0.63 . . . . 1.8 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -56.56 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 1.88 109.316 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.433 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.4 m -143.63 149.88 37.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.53 110.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.417 ' CB ' HD22 ' A' ' 23' ' ' LEU . 59.8 p -157.56 166.32 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.36 110.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m -136.74 58.19 18.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 2.13 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -73.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.64 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 171.42 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.43 109.277 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.06 109.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 2.64 110.297 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.34 56.28 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.33 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.49 129.27 54.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 2.69 109.959 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -101.39 137.19 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 4.21 110.358 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.39 -117.63 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 2.85 110.975 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.19 84.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 4.52 109.303 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 65.51 90.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 3.58 109.315 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' CD1' ' A' ' 74' ' ' LEU . 18.4 Cg_endo -74.92 -172.09 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 2.47 111.001 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.72 -71.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.77 109.333 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 152.27 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.45 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -85.08 145.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 1.7 109.294 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.01 148.13 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.93 110.252 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 10.6 mt -148.9 147.09 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.471 1.107 . . . . 1.49 109.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.44 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 50.6 m-70 -138.62 152.51 48.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.63 109.606 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 74.0 m-85 -150.56 96.13 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 3.53 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.27 110.012 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.955 -0.858 . . . . 1.03 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HB3' HD12 ' A' ' 68' ' ' ILE . . . -153.75 164.03 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 1.75 109.263 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 123.98 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 3.69 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 74' ' ' LEU . 8.4 tp -86.98 140.49 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.98 109.256 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.23 132.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.51 1.131 . . . . 1.79 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -84.76 94.35 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 4.66 110.992 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -119.51 59.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 2.53 110.373 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.65 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.512 0.196 . . . . 2.83 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 142.19 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 2.1 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.444 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.8 p -108.04 167.4 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.05 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -86.35 81.9 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 4.81 109.356 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.13 174.78 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 1.59 109.281 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.11 143.0 26.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 1.88 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 68' ' ' ILE . 33.4 m -100.61 130.08 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.01 109.299 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -140.06 133.53 30.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.19 110.022 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 1.08 111.002 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.303 -0.629 . . . . 2.64 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -110.15 125.1 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.78 110.437 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.481 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.9 149.77 28.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 2.09 110.946 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.0 t -144.82 115.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 2.86 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.13 119.78 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 1.63 109.31 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.77 101.15 20.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 1.71 110.399 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 137.21 21.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.69 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.55 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.7 109.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.85 142.47 25.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.611 1.194 . . . . 0.82 110.002 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 134.95 18.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.761 . . . . 1.08 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 38' ' ' LEU . 24.5 mt -66.95 116.13 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 2.41 109.348 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ALA . 45.5 p -87.56 160.26 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 2.19 110.404 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -40.57 140.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 2.24 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.57 -154.66 22.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.77 111.004 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.551 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -135.8 143.06 45.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 2.06 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 m-85 -143.35 175.22 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 3.36 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 125.69 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 3.22 109.244 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.32 113.16 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 1.86 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.76 113.03 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.79 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.582 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 51.9 p-90 -108.51 161.12 15.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 0.55 107.981 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.1 mtp-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 7.04 110.303 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.4 pt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.342 -0.614 . . . . 4.44 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 p -93.08 150.85 20.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.82 110.394 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.532 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -154.71 155.5 26.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.5 1.125 . . . . 0.59 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.35 147.51 39.92 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 0.744 . . . . 1.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.59 103.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.68 109.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.1 t -86.44 137.21 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.81 110.329 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 19.7 p90 -144.76 157.22 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 3.36 110.976 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -103.65 164.85 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 4.09 109.34 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 5.0 t -148.11 115.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 2.23 109.248 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 3.68 109.316 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.299 -0.63 . . . . 2.0 109.299 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.459 ' N ' HD21 ' A' ' 4' ' ' LEU . 79.3 t -54.21 -79.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.593 1.183 . . . . 2.22 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.416 ' N ' HD21 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -148.55 144.75 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.8 110.005 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.4 p -155.92 165.37 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.39 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 56.4 m -137.18 57.83 16.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.78 110.367 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.98 -62.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.45 110.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . 171.43 47.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 1.83 109.247 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -42.17 107.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 2.12 110.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.59 37.28 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.78 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.15 100.55 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 1.29 109.998 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.85 119.95 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 2.29 110.222 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.34 -49.72 0.4 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.413 1.071 . . . . 1.37 111.026 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.46 172.58 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 1.94 109.265 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.02 134.98 42.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 2.4 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.71 12.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 1.27 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.15 -53.91 11.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 1.71 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 151.24 29.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 3.13 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.76 139.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.5 109.29 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 tt0 -110.9 148.13 33.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.86 110.337 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' CD1' HD11 ' A' ' 68' ' ' ILE . 12.9 mt -147.21 143.12 27.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.486 1.116 . . . . 1.55 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.563 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 53.8 m-70 -140.26 158.68 43.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 1.05 109.567 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 17.2 m-85 -155.24 110.57 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 3.49 111.06 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 2.02 109.957 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.0 -0.84 . . . . 0.99 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.29 153.9 31.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 1.91 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -152.31 124.15 7.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 3.81 109.264 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tp -95.33 129.9 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.66 109.303 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.58 138.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.08 109.278 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.7 tmm? -93.0 95.58 9.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 3.33 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.5 t -115.05 73.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 2.05 110.41 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 2.53 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.561 0.219 . . . . 4.11 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.33 151.4 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 2.26 109.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.41 165.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.96 109.277 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -88.51 100.74 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 4.85 109.233 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.5 172.2 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 2.13 109.327 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.03 141.58 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.69 109.342 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.0 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 3.05 109.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 1.4 m -131.59 138.34 48.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.09 109.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.56 1.163 . . . . 0.97 111.001 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 3.58 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -107.58 133.68 51.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 2.17 110.413 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -133.32 147.64 51.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.77 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -146.33 117.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 3.02 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.419 HD11 ' CD1' ' A' ' 23' ' ' LEU . 1.2 mp -86.22 126.93 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.77 109.265 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.68 111.61 19.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 1.74 110.424 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.67 18.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.53 1.805 . . . . 0.89 111.074 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.64 -21.67 59.32 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.549 1.155 . . . . 1.88 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.25 156.88 45.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 1.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.32 12.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.789 . . . . 1.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.5 mt -76.18 115.96 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.68 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 p -85.3 163.34 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 2.38 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.58 172.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.88 109.33 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.01 -153.15 17.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.8 111.012 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 69.5 m -131.27 140.17 49.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 1.72 110.4 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.1 m-85 -139.98 168.55 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 3.36 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.459 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -140.64 122.49 15.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 3.66 109.35 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -98.48 101.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.69 109.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.1 120.25 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 1.89 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.646 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 22.0 p-90 -116.93 159.09 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.58 108.072 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 4.11 110.37 -179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.256 -0.646 . . . . 4.61 109.256 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -122.85 138.24 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.98 110.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.499 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.38 163.12 31.87 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.8 111.021 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.86 156.8 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 1.36 109.983 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 9' ' ' PRO . 21.4 t -131.44 110.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 1.69 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.459 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 14.0 t -88.7 141.32 28.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.86 110.399 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.1 p90 -151.01 149.93 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 3.23 110.964 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -102.76 166.27 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 6.23 109.218 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 95.7 t -144.94 112.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.82 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 3.68 109.311 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.302 -0.629 . . . . 2.06 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.43 -78.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 2.09 109.284 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.82 149.86 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.71 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.402 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 55.4 p -157.38 163.26 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.44 109.967 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.3 m -136.93 58.67 19.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.63 110.347 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -73.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.578 1.83 . . . . 0.54 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.12 46.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 1.51 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 1.9 mt-10 -45.08 108.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 2.73 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.98 38.46 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.72 111.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.48 94.5 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.56 0.8 . . . . 1.38 110.001 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.96 124.58 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.38 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.15 -56.98 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 1.18 111.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.63 172.86 12.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 1.9 109.25 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -75.74 135.22 71.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 2.23 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.57 36.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 1.19 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.49 5.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 1.84 109.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 151.63 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 3.17 109.331 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.97 133.07 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 1.68 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -107.52 147.76 30.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 4.67 110.34 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 68' ' ' ILE . 13.2 mt -147.31 143.88 28.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 1.73 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -135.55 156.04 49.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.488 1.118 . . . . 0.72 109.585 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.544 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 38.3 m-85 -154.97 93.51 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 3.31 110.986 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 2.13 109.983 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.89 159.8 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 1.89 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -154.87 124.77 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 3.1 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 81' ' ' VAL . 12.3 tp -94.33 138.16 32.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.8 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.07 137.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 1.73 109.243 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.0 ttt -93.81 97.98 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.42 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.88 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.69 110.382 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 2.09 109.286 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.538 0.208 . . . . 3.12 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.53 149.18 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.84 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.92 146.23 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.79 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.8 120.16 15.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 5.33 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.04 175.24 10.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 1.76 109.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.87 141.16 49.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 2.1 109.225 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.1 123.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.09 109.333 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.4 m -140.35 175.73 9.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.77 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.87 111.018 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.234 -0.654 . . . . 3.84 109.234 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -114.78 120.09 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 1.62 110.395 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.99 161.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.84 110.997 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 66' ' ' MET . 95.8 t -155.59 117.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 2.68 109.331 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 23' ' ' LEU . 1.4 mp -95.86 132.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.75 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.9 109.2 9.94 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.52 110.427 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 134.62 18.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.5 111.074 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.41 -26.9 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.87 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.42 146.44 32.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.81 109.94 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.52 11.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.87 110.956 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 27.4 mt -77.07 116.13 17.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.77 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.2 p -89.6 174.92 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 2.03 110.442 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -45.73 167.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.68 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 -154.48 16.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.61 111.066 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 m -138.69 137.52 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.616 0.833 . . . . 2.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.9 m-85 -136.82 163.76 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 3.25 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 113.54 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 2.75 109.329 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.462 ' CG2' HD11 ' A' ' 38' ' ' LEU . 33.9 t -91.83 104.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.99 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 124.1 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 1.88 109.186 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.576 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 23.4 p-90 -117.94 159.84 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.7 108.029 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 3.52 110.287 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.466 HG23 HD13 ' A' ' 93' ' ' ILE . 8.9 mm . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.302 -0.629 . . . . 3.68 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.4 p -125.56 138.17 53.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 1.97 110.336 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.559 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -164.62 163.15 36.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.66 110.933 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -141.65 166.02 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.758 . . . . 1.56 110.036 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 65.2 t -136.88 111.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.93 109.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 t -93.37 139.75 30.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.68 110.402 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -143.24 153.94 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 3.29 110.978 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -110.36 157.53 19.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 3.27 109.253 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 98.2 t -138.35 117.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.98 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 4.37 109.253 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.559 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.292 -0.632 . . . . 1.7 109.292 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.424 ' N ' HD23 ' A' ' 4' ' ' LEU . 64.8 t -57.73 -81.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.91 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.441 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -140.17 146.62 39.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.66 110.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' CB ' HD22 ' A' ' 23' ' ' LEU . 68.1 p -156.31 166.07 34.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.42 109.944 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 93.5 m -136.98 58.82 19.54 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 1.82 110.401 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.01 -65.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.457 1.767 . . . . 0.44 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 163.22 45.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.4 109.248 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.82 107.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 2.25 110.305 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.25 51.27 2.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.99 111.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.49 116.49 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 1.96 109.981 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -105.23 124.22 49.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.78 110.347 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.19 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 1.63 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.39 -165.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 2.67 109.231 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' N ' HG11 ' A' ' 101' ' ' VAL . . . -52.79 107.94 0.97 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.464 1.103 . . . . 3.7 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 2.45 111.046 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.09 -72.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.93 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 159.35 39.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 1.09 . . . . 3.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 HG12 ' CA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 1.88 109.251 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -112.75 149.89 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.44 110.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD22 ' CB ' ' A' ' 7' ' ' SER . 16.7 mt -147.23 142.66 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.75 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 56.2 m-70 -137.53 159.78 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.91 109.556 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 51.3 m-85 -155.95 141.0 17.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 3.26 111.01 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.71 110.006 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.95 -0.86 . . . . 0.8 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -151.88 168.8 23.97 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.545 0.791 . . . . 1.95 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -155.06 127.77 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 2.9 109.275 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 6.3 tp -96.03 142.55 28.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 1.93 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.03 132.95 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 1.98 109.292 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.9 ttt -85.89 97.36 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.12 111.055 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -108.68 59.59 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.82 110.43 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.07 109.279 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.5 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.194 . . . . 4.55 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.45 130.15 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.85 109.25 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -96.54 157.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.94 109.274 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -82.35 98.05 8.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 6.09 109.262 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.42 175.2 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 1.52 109.299 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.2 140.69 24.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 1.78 109.327 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.3 128.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 3.16 109.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -132.62 126.96 33.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.36 109.984 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 1.21 111.035 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.304 -0.628 . . . . 3.17 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 ' CE1' ' A' ' 24' ' ' HIS . 1.9 m -100.8 129.91 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 1.79 110.44 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.444 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 1.2 mpp? -120.42 160.83 22.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.88 110.944 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.4 t -153.63 115.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 2.71 109.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.5 123.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 1.79 109.302 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 110.88 17.93 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.63 110.371 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 135.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.66 110.973 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -22.94 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.71 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.7 152.4 51.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 1.25 110.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 134.46 17.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 1.32 110.953 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.98 116.98 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.16 109.265 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -84.79 158.29 20.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 1.72 110.404 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -43.72 143.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.75 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.86 -155.13 24.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.455 1.097 . . . . 0.65 111.025 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.451 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 47.5 m -132.45 136.84 46.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 1.52 110.449 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.2 m-85 -136.73 162.52 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 3.37 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.46 117.48 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.85 109.369 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.9 99.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.67 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.65 109.01 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 1.87 109.269 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.611 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 46.8 p-90 -107.26 161.15 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.61 108.033 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 5.14 110.32 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.631 . . . . 3.91 109.295 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.8 p -110.04 148.95 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 1.99 110.459 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.39 158.96 29.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.5 110.982 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.82 154.29 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.8 109.97 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 9' ' ' PRO . 14.6 t -140.01 101.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 1.8 109.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 6.2 t -85.98 134.55 33.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 1.63 110.383 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.8 p90 -140.95 149.5 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 3.2 111.005 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -103.95 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 2.84 109.307 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 72.1 t -141.07 112.51 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.78 109.289 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 3.26 109.307 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.245 -0.65 . . . . 1.96 109.245 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.431 ' N ' HD22 ' A' ' 4' ' ' LEU . 91.5 t -59.43 -83.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.73 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.44 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -142.73 146.91 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.55 110.084 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 p -156.52 163.81 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.36 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -136.73 59.36 23.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.8 110.385 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.99 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.412 1.743 . . . . 0.45 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 99' ' ' PHE . . . 170.29 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.118 . . . . 1.65 109.351 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.12 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 2.97 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.78 36.59 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.7 111.032 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.82 93.83 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.34 110.037 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.54 125.09 50.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.97 110.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -49.7 0.59 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.567 1.167 . . . . 1.35 110.976 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 168.18 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 2.14 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -86.04 136.87 35.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 2.32 109.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 -168.06 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 1.57 110.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.37 -52.08 5.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 1.65 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 157.58 37.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 3.52 109.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.94 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 1.5 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.55 147.13 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 1.66 110.366 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 13.0 mt -146.97 144.41 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 1.85 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.1 m-70 -140.23 143.87 36.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.63 109.641 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -147.31 130.07 16.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 3.4 111.025 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 3.49 109.975 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.054 -0.818 . . . . 1.09 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -141.44 169.7 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 1.96 109.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.38 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 6.18 109.273 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 tp -93.01 134.2 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.86 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.31 135.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 1.8 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.476 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.2 tmm? -87.08 94.01 9.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 2.83 111.025 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -117.85 59.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 2.13 110.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 2.51 109.278 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.509 0.195 . . . . 4.34 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.37 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.56 109.324 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.29 169.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.87 109.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.21 96.56 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 5.72 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 1.79 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 1.84 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.34 124.65 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 2.93 109.224 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 m -138.32 132.44 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.17 110.003 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.88 111.0 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.35 -0.611 . . . . 3.39 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -114.4 132.39 56.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 1.88 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.489 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.19 146.36 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 2.01 111.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.27 113.13 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 2.68 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -90.09 121.96 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.55 109.266 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.6 107.83 23.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.62 110.372 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.3 20.13 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.548 1.815 . . . . 0.61 110.992 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.49 72.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 1.67 109.352 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.89 149.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.89 109.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.85 110.938 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -75.76 117.27 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 2.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.0 p -96.96 162.81 13.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 1.69 110.402 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -41.21 156.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 1.96 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.08 -149.78 19.84 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.566 1.166 . . . . 0.63 110.983 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.3 m -147.57 132.46 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 0.824 . . . . 1.66 110.388 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.1 m-85 -137.61 175.3 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 3.44 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.43 115.59 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.63 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 21' ' ' ILE . 47.9 t -84.85 111.52 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.75 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.58 113.58 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.84 109.314 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.658 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 36.6 p-90 -110.24 157.48 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.63 107.996 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HG2' ' CG2' ' A' ' 94' ' ' THR . 2.3 mpt_? . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 5.35 110.26 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 93' ' ' ILE . 1.1 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.239 -0.652 . . . . 3.63 109.239 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.407 ' CG2' ' HG2' ' A' ' 84' ' ' ARG . 20.0 p -112.91 137.92 50.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 2.18 110.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -142.06 160.71 27.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.7 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.88 155.16 49.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.82 110.018 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -139.71 104.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.79 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.0 t -85.01 140.71 30.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.63 110.422 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 2.9 p90 -150.43 149.68 30.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.24 111.04 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -108.53 160.88 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 3.27 109.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 75.0 t -140.19 120.25 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 1.84 109.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.83 109.345 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.245 -0.65 . . . . 1.77 109.245 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.469 ' C ' HD22 ' A' ' 4' ' ' LEU . 93.2 t -57.68 -85.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 1.76 109.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.519 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -136.46 148.33 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.54 110.007 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.417 ' CB ' HD22 ' A' ' 23' ' ' LEU . 66.7 p -157.16 165.55 35.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.32 110.027 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.522 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.5 m -138.52 58.45 14.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 1.93 110.377 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.39 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . -177.26 45.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.43 109.372 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.4 107.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 2.38 110.273 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.06 37.35 2.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.72 111.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 93.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 0.722 . . . . 1.38 109.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.38 120.09 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.25 110.312 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.94 -47.8 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 1.28 111.01 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.88 166.08 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 2.04 109.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' CB ' HG11 ' A' ' 101' ' ' VAL . . . -71.72 136.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.11 109.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 148.14 34.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 1.39 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -57.03 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 1.93 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 149.37 26.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 4.63 109.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -86.07 139.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.47 109.344 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.76 151.0 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.85 110.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 11.4 mt -147.87 146.15 28.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.578 1.174 . . . . 1.43 109.281 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' SER . 44.9 m-70 -136.71 160.27 39.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.32 109.618 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 50.0 m-85 -154.42 117.5 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 3.4 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 2.04 109.965 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.011 -0.836 . . . . 1.16 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.24 157.75 37.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 2.16 109.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.41 114.31 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 5.18 109.36 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 74' ' ' LEU . 28.9 tp -87.28 131.86 34.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 2.17 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 m -134.2 132.96 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.59 109.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 10.6 ttt -91.36 96.59 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 2.92 111.07 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 13.1 t -106.59 60.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.76 110.469 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 2.03 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.467 0.175 . . . . 3.73 111.003 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.66 143.03 35.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 1.65 109.358 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.1 p -113.58 164.52 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 2.33 109.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.56 129.7 34.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 4.44 109.336 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.76 174.89 13.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 1.71 109.376 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.84 146.2 49.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 2.06 109.226 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -113.26 119.69 61.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 3.09 109.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 m -114.83 175.35 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.6 110.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.412 1.07 . . . . 1.34 111.025 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.241 -0.652 . . . . 2.79 109.241 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -98.47 112.98 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 1.87 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.04 150.21 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 2.46 111.038 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.98 114.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 3.09 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mp -89.29 129.63 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.67 109.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.77 108.52 7.1 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 1.98 110.37 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 134.72 18.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.63 111.045 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.75 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.98 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 148.47 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.81 109.988 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.542 1.811 . . . . 0.79 111.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 38' ' ' LEU . 60.4 mt -80.21 116.86 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 1.81 109.318 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -93.36 173.16 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.61 110.399 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.97 167.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.543 1.152 . . . . 1.85 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.24 -150.38 17.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.6 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -139.84 132.51 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 1.91 110.394 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.9 m-85 -134.0 171.54 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 3.43 111.022 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.5 111.88 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 3.7 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' CG2' HD11 ' A' ' 38' ' ' LEU . 44.2 t -85.08 116.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.67 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -98.4 115.12 27.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 1.91 109.344 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.574 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 51.9 p-90 -110.08 157.85 18.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.959 -1.126 . . . . 0.59 107.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 3.61 110.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 94' ' ' THR . 2.6 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.343 -0.614 . . . . 3.65 109.343 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 93' ' ' ILE . 54.7 p -123.1 172.12 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.92 110.452 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -174.55 159.26 28.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.17 . . . . 0.61 110.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.77 155.01 44.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.83 110.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 t -142.05 107.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 1.81 109.264 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 t -90.04 137.75 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 1.68 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -149.14 146.46 27.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 3.11 111.039 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -102.22 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 3.58 109.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' A' ' 17' ' ' ALA . 62.0 t -138.7 119.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.6 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 3.21 109.349 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.336 -0.616 . . . . 3.45 109.336 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.438 ' N ' HD23 ' A' ' 4' ' ' LEU . 82.7 t -48.83 -70.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 2.11 109.285 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -156.27 150.12 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.76 110.008 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.7 p -157.52 167.22 30.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.64 109.977 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 m -140.95 56.67 6.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.95 110.408 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.02 -72.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.4 111.045 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . . . -176.48 43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.41 109.295 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -37.56 101.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 2.45 110.338 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.03 36.91 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.8 110.993 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.87 100.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 1.35 110.043 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -105.57 120.36 41.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 1.82 110.323 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.04 -44.37 0.58 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.578 1.174 . . . . 1.25 110.994 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.98 167.29 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 0.817 . . . . 2.58 109.301 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 136.4 56.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 2.47 109.286 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.62 30.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 1.54 110.994 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -53.1 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.85 109.347 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 151.49 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 4.01 109.336 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -84.59 144.49 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.57 109.312 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.4 mt-10 -120.13 150.49 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.56 110.283 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 13.3 mt -148.22 143.64 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.74 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 71.0 m-70 -135.99 155.1 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.84 109.564 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 12.8 m-85 -154.83 105.09 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 4.23 111.025 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.7 110.008 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 1.37 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.66 163.01 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 1.83 109.335 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -155.17 120.53 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 3.43 109.309 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD21 ' CD2' ' A' ' 74' ' ' LEU . 8.1 tp -90.6 135.19 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.75 109.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.51 131.69 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 1.89 109.292 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.548 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.16 96.08 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 2.7 111.036 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.9 t -107.08 59.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 2.15 110.37 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 2.3 109.29 179.992 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 mmm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.476 0.179 . . . . 3.51 111.021 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.75 149.57 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 2.07 109.276 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.61 174.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.99 109.322 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.13 116.84 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 6.51 109.249 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.26 173.1 13.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.68 109.319 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.4 148.11 39.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 1.98 109.246 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.29 125.54 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 3.17 109.263 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -136.61 131.15 33.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.02 110.031 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 1.07 111.05 179.944 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 3.53 109.318 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -106.65 111.77 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 1.91 110.439 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.417 ' N ' ' HE2' ' A' ' 66' ' ' MET . 0.0 OUTLIER -101.98 151.99 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 2.5 110.98 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -144.89 115.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 2.8 109.304 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -88.41 124.5 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.64 109.241 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.92 109.09 18.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 1.84 110.395 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.52 19.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.567 1.825 . . . . 0.69 110.998 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -29.37 65.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.95 109.274 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.51 151.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.93 110.045 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 138.81 23.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 1.02 110.999 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 61.2 mt -89.58 118.19 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 1.7 109.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -93.62 170.51 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.76 110.456 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.484 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -48.87 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.94 109.28 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.03 -153.44 17.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.83 111.018 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 31.6 m -131.17 137.57 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 1.94 110.393 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.594 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 6.0 m-85 -141.55 171.04 14.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 3.55 110.966 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.48 113.91 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.79 109.245 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 21' ' ' ILE . 71.7 t -87.96 104.86 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.76 109.288 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 109.37 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.34 109.28 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.647 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 21.6 p-90 -103.83 155.67 18.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.79 107.994 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 3.25 110.319 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.359 -0.608 . . . . 4.81 109.359 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.3 p -84.67 143.32 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.94 110.445 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -165.24 157.59 30.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.79 110.933 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.62 145.66 27.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 1.1 110.015 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 21.8 t -127.85 111.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.85 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.6 t -86.62 141.42 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 1.7 110.43 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 79' ' ' TYR . 28.8 p90 -151.75 154.11 35.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 3.29 111.057 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -104.17 163.03 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 4.17 109.294 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 57.4 t -139.05 120.71 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.96 109.235 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 4.28 109.323 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.296 -0.631 . . . . 1.87 109.296 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.88 -76.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 1.83 109.301 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.8 m -152.07 151.44 31.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.57 110.01 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.415 ' CB ' HD23 ' A' ' 23' ' ' LEU . 58.6 p -157.55 164.11 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.36 110.003 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 8' ' ' THR . 1.4 m -137.3 59.86 23.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.81 110.407 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.98 -75.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.473 1.775 . . . . 0.55 110.936 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.41 46.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.85 109.379 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.14 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.94 110.338 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.78 37.96 7.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.78 110.981 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -71.68 95.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.92 110.01 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -107.62 128.36 54.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 1.94 110.293 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.7 -45.81 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.41 111.025 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.66 166.53 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.83 109.253 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.43 136.09 56.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 2.3 109.268 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 150.08 38.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.732 . . . . 1.25 111.018 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.46 -55.1 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 1.85 109.34 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.67 148.67 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 5.32 109.276 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.544 HD11 HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -84.89 144.66 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.66 109.313 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tt0 -117.13 149.0 41.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 1.78 110.29 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 12.7 mt -147.53 144.06 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.72 109.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -136.37 147.46 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.62 109.596 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 44.9 m-85 -155.31 116.23 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 4.23 111.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.78 109.966 -179.979 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.034 -0.826 . . . . 0.88 111.034 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.95 164.83 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.87 109.306 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.66 128.71 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 4.06 109.313 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 74' ' ' LEU . 9.9 tp -93.7 121.85 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.57 109.279 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.44 134.26 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.08 109.257 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.1 ttt -90.32 96.45 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 2.38 110.966 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' ALA . 6.8 t -113.11 59.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 2.45 110.403 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.51 109.295 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.446 0.165 . . . . 5.59 110.971 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.65 140.15 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 2.23 109.307 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.454 HG13 ' CG ' ' A' ' 38' ' ' LEU . 4.1 p -97.83 174.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 2.23 109.244 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 58.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 6.25 109.284 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.24 173.84 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.5 109.273 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.91 139.69 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.61 109.397 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 p -92.38 130.64 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 3.3 109.295 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.07 136.0 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.27 110.043 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 1.49 110.941 -179.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 pttt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.322 -0.622 . . . . 2.85 109.322 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -87.95 120.63 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.81 110.398 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.3 mpp? -110.16 151.75 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 2.01 111.028 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t -151.04 121.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 3.04 109.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -91.84 124.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.55 109.296 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.78 109.11 14.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 1.81 110.397 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.96 18.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.58 111.044 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.43 78.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.77 109.337 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 153.99 37.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.09 109.965 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 126.74 10.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.9 110.983 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 29.7 mt -71.13 115.74 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 1.64 109.266 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.9 p -90.33 169.2 11.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 1.69 110.417 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.82 167.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.61 109.319 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.51 -151.61 16.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.7 110.977 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.424 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -138.25 130.62 28.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 2.73 110.39 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -135.18 169.65 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 3.4 110.945 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.623 ' HZ1' ' HG ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -143.66 115.34 8.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 4.21 109.309 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.544 HG22 HD11 ' A' ' 21' ' ' ILE . 2.4 t -87.91 116.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 2.32 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.34 124.81 44.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 2.31 109.287 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.606 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 47.8 p-90 -118.97 158.02 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.56 108.014 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 4.32 110.323 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.8 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.219 -0.66 . . . . 4.89 109.219 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.5 p -90.4 161.26 15.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 1.99 110.399 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.584 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -166.83 159.94 33.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.5 111.014 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.623 ' HG ' ' HZ1' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -141.05 154.05 45.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.83 110.021 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.401 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 t -136.97 107.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.93 109.296 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.7 t -89.4 138.58 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.67 110.433 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.4 p90 -150.15 150.34 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 3.12 110.937 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -104.67 164.0 12.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 3.45 109.281 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 87.4 t -141.13 120.82 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 1.62 109.361 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 3.11 109.297 179.987 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.526 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.339 -0.615 . . . . 2.32 109.339 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -56.54 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 2.06 109.261 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 1.5 m -139.1 153.63 48.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.96 110.03 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . 13.9 p -157.98 168.96 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.44 109.971 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 12.0 m -140.05 57.1 8.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.87 110.409 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.42 111.007 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . -176.95 44.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 1.55 109.394 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 101.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 2.27 110.283 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.88 40.37 3.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.8 110.962 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.97 95.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 1.38 110.033 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.01 121.96 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.88 110.267 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.31 -45.09 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 1.23 110.965 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.91 166.93 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 2.14 109.293 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -75.34 138.19 71.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 2.11 109.334 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 18.0 Cg_endo -75.07 140.05 24.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 1.39 110.934 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.98 33.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.94 109.28 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 148.9 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 5.3 109.291 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.86 142.91 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.58 109.287 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -119.3 149.74 41.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 2.26 110.252 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 68' ' ' ILE . 4.7 mt -145.2 142.58 29.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 1.83 109.298 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.609 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.0 m-70 -136.1 148.31 48.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.88 109.626 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 5.5 m-85 -155.16 131.9 10.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 4.52 111.007 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.99 109.969 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.82 . . . . 1.18 111.049 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.14 152.73 29.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 2.49 109.222 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -154.73 122.19 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 3.15 109.32 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 74' ' ' LEU . 23.8 tp -91.51 139.83 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 2.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.9 144.36 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 1.87 109.295 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.542 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -104.59 95.68 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 3.64 111.008 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 41' ' ' THR . 13.0 t -109.39 59.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.93 110.458 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 2.98 109.348 179.999 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.5 0.191 . . . . 3.13 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.86 140.2 52.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.95 109.257 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 p -123.66 159.12 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 2.17 109.299 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -78.11 129.87 35.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 4.5 109.286 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.11 175.26 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.68 109.341 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.28 145.75 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.93 109.309 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.77 127.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 2.92 109.318 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' VAL . 6.5 m -149.39 144.42 26.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.22 109.951 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 1.4 110.973 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 4.31 109.331 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -94.49 117.63 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 2.17 110.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -98.75 154.09 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 2.03 111.016 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 58' ' ' SER . 81.9 t -149.13 119.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 2.74 109.29 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 23' ' ' LEU . 1.6 mp -99.47 134.29 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.74 109.315 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.69 119.15 9.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 2.13 110.38 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 134.16 17.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.63 111.036 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.76 -26.08 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 1.76 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 157.15 34.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.81 110.064 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.19 12.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.92 110.973 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 38' ' ' LEU . 45.5 mt -77.27 116.15 17.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 2.03 109.226 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.9 p -95.38 170.68 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.76 110.428 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -48.26 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 1.55 109.348 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -149.61 17.87 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.555 1.159 . . . . 0.56 111.018 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m -140.13 136.5 33.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 1.7 110.458 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 7.8 m-85 -135.12 161.81 34.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 3.14 111.007 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.462 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -130.48 111.62 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 4.91 109.292 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -86.18 99.24 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.7 109.311 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.91 123.71 34.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.96 109.299 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.583 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 26.9 p-90 -123.11 151.02 42.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.94 108.012 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 4.26 110.323 179.97 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.478 HG23 HD13 ' A' ' 93' ' ' ILE . 13.2 mm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.368 -0.604 . . . . 3.23 109.368 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -85.36 160.11 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.71 110.422 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -173.66 151.77 14.0 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.544 1.152 . . . . 0.69 111.024 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.84 155.19 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 1.23 109.989 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 69.6 t -132.56 103.04 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.541 1.151 . . . . 2.14 109.3 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 5.7 t -86.6 141.68 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.62 110.367 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.7 p90 -154.11 148.58 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 3.16 110.974 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -103.67 159.06 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 3.98 109.375 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 95.3 t -134.9 121.99 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.77 109.3 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 3.22 109.242 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.316 -0.624 . . . . 1.91 109.316 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -51.53 -76.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 2.04 109.248 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -152.32 152.67 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.55 109.965 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 79.0 p -156.82 167.03 31.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.37 109.986 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.527 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -137.35 58.17 16.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 2.42 110.413 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.93 -63.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.54 110.973 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 163.73 44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 2.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.12 107.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 2.7 110.254 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.06 63.7 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.17 . . . . 1.52 110.965 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.45 129.2 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 2.87 109.95 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -101.53 138.03 39.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 3.77 110.322 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.65 -116.13 0.4 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.425 1.078 . . . . 2.67 110.935 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 174.78 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 4.49 109.259 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.19 86.94 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 4.06 109.312 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.01 175.52 11.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 2.5 110.991 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.73 -75.54 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 2.05 109.304 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 158.05 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 3.98 109.28 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -88.77 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.73 109.291 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -111.37 149.71 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 1.69 110.296 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 12.2 mt -148.57 144.7 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 1.59 109.287 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.441 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 73.0 m-70 -136.07 149.84 48.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.61 109.642 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 25.3 m-85 -153.3 119.87 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 3.47 111.015 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 1.99 109.997 -179.98 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.028 -0.829 . . . . 1.36 111.028 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.19 168.61 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 2.21 109.235 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 132.36 10.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 5.94 109.25 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 8.5 tp -90.62 143.11 27.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.8 109.355 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.64 137.38 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.97 109.355 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.57 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.3 ttt -90.14 97.62 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 3.21 111.023 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 t -117.49 59.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 2.3 110.463 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.38 109.269 -179.942 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.508 0.194 . . . . 5.37 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.51 139.9 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.9 109.26 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.3 p -103.57 155.83 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 2.01 109.335 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -78.88 57.95 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 5.8 109.297 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.18 174.67 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 2.12 109.3 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.05 148.23 33.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 2.27 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.43 126.21 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 3.26 109.311 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -139.07 132.51 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.36 109.964 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 1.12 110.973 -179.971 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.278 -0.638 . . . . 3.48 109.278 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.86 127.84 43.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 2.02 110.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.482 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.42 149.42 27.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.78 111.023 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -142.33 113.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.78 109.292 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -86.38 120.14 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 2.01 109.316 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.0 104.23 18.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 1.69 110.429 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.35 18.89 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.453 1.765 . . . . 0.74 111.008 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.05 82.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.97 109.306 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.53 145.83 30.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.12 109.988 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.04 12.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 1.34 110.959 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.461 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 29.9 mt -62.42 115.37 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 2.4 109.332 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 p -86.39 162.54 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 1.89 110.441 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.61 139.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 1.85 109.307 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.29 -154.98 24.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.458 1.099 . . . . 0.58 110.96 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.534 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.8 m -141.15 146.59 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 0.719 . . . . 2.32 110.41 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.9 m-85 -142.75 171.45 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 3.12 111.049 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.454 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -142.32 112.84 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 3.09 109.272 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.96 113.58 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 1.76 109.325 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.54 125.47 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 2.35 109.324 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.581 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 35.2 p-90 -121.09 149.2 43.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.964 -1.124 . . . . 0.8 107.964 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.96 110.272 179.987 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.8 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.642 . . . . 3.68 109.268 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.9 p -103.32 160.6 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 2.24 110.421 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.08 162.19 35.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.78 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.454 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -139.02 156.43 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.82 110.002 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 17.6 t -136.06 108.66 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.6 109.255 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.76 133.85 35.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 1.63 110.355 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -142.05 161.56 37.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 3.14 110.948 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 158.47 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 3.54 109.32 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 t -139.78 119.45 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 2.18 109.313 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 3.72 109.292 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.265 -0.642 . . . . 1.82 109.265 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 4' ' ' LEU . 90.9 t -63.86 -86.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.77 109.26 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.456 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -132.36 147.56 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.69 110.043 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.6 p -157.39 166.99 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.48 110.024 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 80.4 m -136.9 59.04 20.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 2.02 110.413 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.97 -66.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.46 110.964 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 166.89 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.65 109.294 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.67 110.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 1.112 . . . . 2.23 110.335 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.76 35.85 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.74 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -70.64 98.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 1.39 110.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -105.92 125.94 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.69 110.283 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.73 -43.97 0.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 1.21 110.997 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.92 165.56 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 2.33 109.319 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -87.83 137.87 31.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 2.66 109.301 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.51 16.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 1.75 111.01 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.35 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 2.52 109.293 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 154.36 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 3.69 109.334 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -86.0 144.73 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.52 109.346 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -115.94 150.19 37.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 3.16 110.267 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 12.7 mt -147.01 143.78 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.63 109.347 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' SER . 56.6 m-70 -136.87 160.79 37.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.67 109.53 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 13.6 m-85 -155.0 131.21 10.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 3.79 110.996 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.38 109.918 -179.919 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.985 -0.846 . . . . 0.94 110.985 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.593 ' CB ' HD12 ' A' ' 68' ' ' ILE . . . -155.37 150.83 27.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 0.771 . . . . 1.9 109.343 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 126.42 7.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.124 . . . . 3.33 109.329 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -94.48 133.57 37.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 2.28 109.316 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.26 137.53 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 1.85 109.289 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -93.85 98.19 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 3.48 111.006 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -107.78 59.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.84 110.366 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.13 109.356 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ALA . 1.7 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.541 0.21 . . . . 4.41 110.997 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' MET . . . -40.26 144.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.74 109.256 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.41 146.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.9 109.361 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.88 96.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 6.09 109.236 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.28 175.24 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 1.89 109.272 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.18 144.45 27.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 2.14 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.33 128.3 60.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 3.03 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 3.0 m -137.73 147.58 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 1.67 110.014 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 1.55 111.04 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 pttm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.251 -0.648 . . . . 3.62 109.251 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -110.61 117.0 32.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.76 110.373 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.26 160.87 14.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 1.73 110.972 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 58' ' ' SER . 7.1 p -153.86 122.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 3.99 109.25 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.593 HD12 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -95.66 122.91 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 1.64 109.315 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.31 107.38 24.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.67 110.416 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 135.33 18.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.59 110.977 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.98 74.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 1.76 109.309 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.63 152.59 37.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.89 110.044 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.84 110.979 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -75.7 116.97 16.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.427 1.079 . . . . 1.77 109.315 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 p -90.45 175.1 7.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 1.69 110.407 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.04 161.62 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 2.06 109.339 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.67 -154.46 19.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.71 110.97 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -128.01 134.23 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 2.3 110.425 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.2 m-85 -138.19 170.41 16.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 3.35 110.997 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CE ' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -146.95 114.97 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 2.71 109.283 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.84 108.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.86 109.261 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.68 116.61 29.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 2.1 109.333 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.655 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 39.0 p-90 -114.21 160.34 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.028 -1.101 . . . . 0.55 108.028 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 4.15 110.257 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 93' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.293 -0.632 . . . . 3.21 109.293 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -103.2 147.23 27.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 2.08 110.437 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.56 155.33 26.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.6 110.946 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' CB ' ' CE ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -144.81 144.21 31.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 0.727 . . . . 0.86 109.933 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -125.55 105.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.83 109.359 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -89.03 136.39 33.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 1.6 110.435 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.9 p90 -149.45 154.69 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 3.09 110.954 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -103.51 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 2.86 109.24 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 44.6 t -141.96 114.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 1.91 109.302 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 4.15 109.341 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.297 -0.631 . . . . 2.24 109.297 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.402 ' N ' HD22 ' A' ' 4' ' ' LEU . 57.4 t -54.04 -81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 2.72 109.327 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.22 151.19 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.89 110.04 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.444 ' CB ' HD21 ' A' ' 23' ' ' LEU . 76.2 p -156.65 168.36 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.72 110.001 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.552 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -138.04 56.82 11.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.7 110.36 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.97 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.592 1.838 . . . . 0.62 110.983 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 99' ' ' PHE . . . -175.78 43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.97 109.243 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -37.7 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 2.52 110.345 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . 38.95 34.64 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.85 110.998 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -67.38 97.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 1.45 110.011 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 9.7 mt-10 -105.49 126.79 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 1.94 110.383 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.93 -39.4 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 1.17 111.016 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 0.807 . . . . 2.46 109.27 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -73.02 140.04 80.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 2.69 109.37 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 141.11 26.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.586 1.835 . . . . 1.81 110.968 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.2 -51.71 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.191 . . . . 2.31 109.305 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -155.23 154.66 32.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 3.33 109.324 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.414 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.04 147.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 1.79 109.31 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -124.9 153.9 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.85 110.315 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 12.5 mt -149.33 146.63 27.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.93 109.24 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.465 ' CE1' HG22 ' A' ' 65' ' ' THR . 51.0 m-70 -137.13 159.62 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.13 109.576 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.611 ' HE2' HD11 ' A' ' 93' ' ' ILE . 11.3 m-85 -155.2 110.96 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 4.5 111.024 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 2.75 109.978 -179.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 1.36 110.935 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.32 174.34 9.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.73 109.325 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -154.69 125.4 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 4.01 109.291 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 74' ' ' LEU . 26.6 tp -93.47 141.44 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 2.07 109.292 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.61 144.04 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.71 109.243 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -104.32 97.97 7.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 2.66 111.007 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -108.51 59.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 1.86 110.466 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 2.99 109.28 -179.961 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.528 0.204 . . . . 4.29 111.033 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.32 139.02 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 2.42 109.266 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.417 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.4 p -119.53 173.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 2.17 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -98.29 126.54 43.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 6.81 109.259 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.95 174.21 14.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 1.81 109.225 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.47 150.69 46.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.9 109.244 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.1 132.7 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 2.91 109.278 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -148.22 136.57 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.22 110.057 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.22 111.002 -179.939 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.277 -0.638 . . . . 4.74 109.277 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.465 HG22 ' CE1' ' A' ' 24' ' ' HIS . 6.0 m -104.49 117.14 33.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.33 110.349 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.3 tpp -101.81 155.93 17.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 2.52 111.019 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.57 110.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 2.81 109.317 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.07 127.58 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.91 109.315 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 109.45 15.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 1.86 110.343 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.3 20.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.76 111.006 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.95 109.321 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 152.11 40.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.05 109.958 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.47 26.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 1.03 110.984 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' HD23 ' A' ' 38' ' ' LEU . 30.6 mt -91.23 116.74 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.91 109.275 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -95.91 175.04 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 2.08 110.379 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.32 174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.79 109.319 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -145.12 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.61 110.974 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.599 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.8 m -145.23 145.55 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 2.11 110.421 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 78' ' ' THR . 3.0 m-85 -146.09 170.24 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 3.06 111.037 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 109.82 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 2.71 109.313 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.88 112.29 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.92 109.3 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -95.29 121.34 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 1.94 109.305 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.626 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 28.6 p-90 -110.23 150.74 28.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.98 107.971 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 4.55 110.315 -179.976 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.611 HD11 ' HE2' ' A' ' 25' ' ' PHE . 1.2 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.257 -0.646 . . . . 4.29 109.257 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.3 p -103.01 136.81 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 1.89 110.423 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.526 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.74 170.06 42.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 1.03 111.02 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.98 150.52 33.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 0.815 . . . . 1.39 110.025 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 4.5 t -124.33 115.01 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 1.71 109.286 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 t -87.97 142.33 27.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.64 110.379 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 79' ' ' TYR . 37.2 p90 -151.27 149.5 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 3.14 111.0 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 4.9 mtpm? -104.24 159.93 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 4.5 109.311 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 t -134.28 124.48 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 1.82 109.31 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 4.0 109.294 -179.982 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.349 -0.612 . . . . 2.37 109.349 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.4 t -50.27 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.9 109.297 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.421 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -146.98 147.97 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.65 110.042 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.41 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 77.8 p -156.44 166.02 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.36 109.999 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 97.0 m -137.1 57.56 15.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.87 110.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.02 -63.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.767 . . . . 0.62 110.979 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 162.96 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 2.11 109.269 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.4 109.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 2.3 110.296 179.89 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 34.15 65.15 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.453 1.096 . . . . 1.54 110.977 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.81 132.38 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 3.25 109.986 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -99.42 140.84 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 3.34 110.3 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.29 -123.92 0.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 2.99 111.013 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.63 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 4.75 109.316 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.24 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 4.38 109.246 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -172.97 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 2.8 110.956 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -70.07 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.7 109.333 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.21 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 3.88 109.331 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -103.27 142.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 1.96 109.278 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -108.11 145.75 33.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 1.86 110.306 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.913 HD11 HD11 ' A' ' 68' ' ' ILE . 13.2 mt -148.06 144.76 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.85 109.376 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -141.79 136.43 30.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.3 109.605 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 4' ' ' LEU . 92.2 m-85 -143.09 77.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 3.7 110.998 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 3.99 110.004 180.0 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.993 -0.843 . . . . 1.01 110.993 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.23 165.47 36.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 1.79 109.261 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -151.7 116.83 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 2.81 109.349 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 81' ' ' VAL . 17.7 tp -86.96 135.54 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.73 109.302 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.06 134.88 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 1.68 109.278 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.9 97.02 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 2.89 110.965 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.9 t -111.83 59.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.79 110.368 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 2.05 109.358 179.956 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.589 0.233 . . . . 3.76 111.02 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.74 147.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.96 109.335 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 38' ' ' LEU . 8.7 p -113.63 156.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.88 109.29 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.57 61.0 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 4.03 109.34 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.4 174.34 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 2.13 109.304 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.83 142.7 30.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 1.98 109.265 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 68' ' ' ILE . 41.2 t -108.37 121.38 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 4.07 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -114.33 174.26 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 1.35 110.071 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 1.18 111.004 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.307 -0.627 . . . . 3.36 109.307 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -115.61 121.47 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.31 110.422 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -131.47 147.21 52.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 2.02 110.958 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.52 126.52 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 3.02 109.278 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.913 HD11 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -94.55 121.33 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 1.73 109.255 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.84 103.37 15.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 1.68 110.364 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 134.77 18.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.601 1.843 . . . . 0.64 110.904 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.89 81.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 1.91 109.321 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.17 145.93 30.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.08 109.944 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.8 110.964 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 38' ' ' LEU . 30.7 mt -62.95 115.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 2.07 109.358 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -88.05 165.72 14.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.83 110.384 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.84 151.49 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 1.83 109.307 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.6 -152.49 17.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.67 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.555 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 48.9 m -130.94 148.39 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 2.07 110.44 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 11.4 m-85 -143.15 162.58 35.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.608 1.192 . . . . 3.05 110.956 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -130.88 120.79 24.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 5.05 109.321 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 38' ' ' LEU . 77.7 t -96.64 103.56 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 1.7 109.311 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.67 104.72 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.75 109.243 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.657 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 23.6 p-90 -102.08 160.4 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.72 108.023 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 94' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 5.93 110.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.7 pt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.332 -0.618 . . . . 4.61 109.332 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' A' ' 84' ' ' ARG . 76.9 p -119.02 165.02 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 2.23 110.412 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.54 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.9 165.18 35.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.64 110.965 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.21 142.35 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 1.02 109.991 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 97.5 t -134.33 103.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 2.07 109.309 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 7.5 t -84.69 140.18 31.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.58 110.401 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.4 p90 -149.76 160.44 43.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 3.19 110.928 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.12 165.48 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 2.74 109.358 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.4 t -148.68 118.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.94 109.284 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 5.36 109.294 179.964 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.531 ' HB3' ' CH2' ' A' ' 83' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.345 -0.613 . . . . 1.98 109.345 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.44 ' N ' HD21 ' A' ' 4' ' ' LEU . 60.5 t -50.77 -79.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.3 109.283 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.462 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -152.21 145.72 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.956 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . 77.2 p -156.38 165.88 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.44 110.019 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 55.0 m -141.09 58.99 9.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 1.78 110.394 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -71.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.516 1.798 . . . . 0.46 111.011 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.08 43.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.54 109.362 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.27 107.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.77 110.318 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.52 37.95 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.71 111.033 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.17 95.27 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 0.757 . . . . 1.37 110.013 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 13.2 mt-10 -104.82 127.74 52.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 2.01 110.367 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.99 -48.33 0.72 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.088 . . . . 1.26 111.058 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.44 168.64 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 2.15 109.289 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -80.21 137.41 52.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 2.25 109.329 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.524 1.802 . . . . 1.23 111.013 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.05 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.71 109.249 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 152.71 30.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.497 1.123 . . . . 4.02 109.324 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -87.73 139.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.5 109.293 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 tt0 -116.7 149.56 39.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.72 110.354 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 68' ' ' ILE . 10.5 mt -148.03 147.72 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.82 109.26 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.435 ' CE1' ' OG1' ' A' ' 65' ' ' THR . 64.6 m-70 -145.14 147.24 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.1 109.521 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -151.91 99.97 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 4.18 111.05 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 2.13 109.982 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 1.05 110.999 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.56 153.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.93 109.268 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -155.0 122.95 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 4.23 109.396 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD12 ' CG2' ' A' ' 81' ' ' VAL . 14.7 tp -94.86 131.08 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 1.95 109.243 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.49 133.31 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 2.3 109.309 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.57 95.93 10.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 3.31 110.977 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.7 t -108.69 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 2.0 110.444 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 2.32 109.269 -179.96 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.508 0.194 . . . . 3.07 110.976 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.59 145.59 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 2.17 109.288 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.52 130.3 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 2.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -58.13 103.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 4.81 109.337 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.05 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.56 109.365 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.14 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 2.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 m -114.66 123.94 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 3.37 109.332 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -132.78 176.31 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.18 110.007 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 1.03 110.976 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.295 -0.632 . . . . 3.01 109.295 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.435 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 2.1 m -110.52 122.41 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.78 110.426 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -114.47 158.82 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 2.02 110.934 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.27 126.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 3.61 109.284 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 23' ' ' LEU . 1.4 mp -99.8 130.82 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.8 109.301 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.61 115.95 14.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.79 110.39 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.547 1.814 . . . . 0.74 111.02 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.11 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.75 109.284 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 158.98 31.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.89 110.039 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.91 111.026 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 73.6 mt -72.75 118.79 16.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 1.72 109.308 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.8 p -92.36 175.45 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 2.04 110.414 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -53.77 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.97 109.232 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.03 -146.38 18.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.74 110.995 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.504 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 62.6 m -144.72 145.18 31.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 1.93 110.388 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.6 m-85 -140.7 164.73 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 3.33 111.012 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 110.35 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 3.39 109.227 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.43 ' CG2' HD12 ' A' ' 38' ' ' LEU . 42.4 t -85.71 103.05 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.7 109.32 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 111.84 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 2.15 109.25 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.629 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 26.7 p-90 -110.13 159.18 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.59 108.026 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 4.26 110.292 -179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.28 -0.637 . . . . 4.25 109.28 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.1 p -86.74 141.03 29.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 2.23 110.404 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -140.12 164.68 26.14 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.457 1.098 . . . . 0.86 111.055 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.39 142.17 25.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.376 0.692 . . . . 0.96 109.974 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 55.0 t -129.29 101.04 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 1.88 109.323 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -85.09 145.71 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.56 110.349 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.5 p90 -153.27 153.8 33.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 3.19 111.024 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.3 mtpt -106.16 157.03 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 3.1 109.296 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 94.8 t -137.65 118.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.62 109.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 3.49 109.337 179.922 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.339 -0.615 . . . . 1.88 109.339 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.85 -81.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 2.12 109.274 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 147.65 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.66 109.987 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 78.3 p -156.48 168.23 28.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.54 110.037 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.545 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 31.4 m -139.84 57.05 8.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 1.78 110.424 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.91 -56.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.9 111.018 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB3' ' CB ' ' A' ' 99' ' ' PHE . . . 165.21 43.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.5 109.279 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.29 103.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.66 110.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.9 34.74 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.89 110.945 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.32 97.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 1.53 109.992 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -109.88 120.7 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.92 110.344 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.37 -39.98 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.22 110.998 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.45 148.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 2.53 109.3 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.57 136.41 80.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 2.8 109.298 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.73 40.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 1.73 110.931 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 2.33 109.318 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.91 161.69 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 4.41 109.285 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -85.37 139.2 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.76 109.307 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 7' ' ' SER . 2.0 tt0 -115.99 151.6 35.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.71 110.285 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 13.4 mt -147.75 143.87 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 2.06 109.305 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 36.6 m-70 -137.85 158.3 44.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.94 109.66 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.6 m-85 -155.01 116.98 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 3.7 110.986 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 2.12 109.961 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.968 -0.853 . . . . 1.71 110.968 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.76 175.14 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 2.03 109.269 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -155.18 128.4 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.35 109.295 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 74' ' ' LEU . 6.7 tp -100.63 132.28 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.07 109.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.55 127.3 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.22 109.286 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 20.7 ttt -86.84 96.86 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 3.05 111.021 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.3 t -106.95 59.84 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 2.53 110.444 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 2.44 109.279 -179.955 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.182 . . . . 3.51 111.011 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.8 141.38 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 2.25 109.356 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG13 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.69 153.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 1.89 109.277 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 111.12 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.08 109.32 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.13 175.04 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 2.07 109.302 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.93 141.93 40.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.95 109.31 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.46 129.29 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 3.12 109.294 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -143.77 134.43 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.57 110.009 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 1.8 110.987 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.359 -0.608 . . . . 3.01 109.359 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.531 HG22 ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -104.26 133.16 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 2.67 110.454 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.415 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -109.96 160.08 16.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 2.3 110.972 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -149.69 116.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 2.82 109.3 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 121.44 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.16 109.288 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.04 109.84 31.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 2.21 110.366 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.71 19.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.547 1.814 . . . . 1.05 110.978 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.3 61.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 2.34 109.344 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 149.93 37.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.52 110.007 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.4 17.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.813 . . . . 1.56 110.977 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.6 mt -84.11 117.31 23.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.79 109.281 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.3 p -97.26 175.42 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.083 . . . . 1.89 110.368 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.86 171.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 1.93 109.322 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.66 -159.15 13.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.84 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 29.0 m -118.18 146.59 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 2.14 110.362 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 36.7 m-85 -145.92 157.21 43.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 3.16 111.046 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.22 113.14 12.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 5.78 109.319 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -92.13 109.78 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.72 109.283 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.62 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.85 109.248 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.606 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 37.7 p-90 -104.51 150.61 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.86 108.082 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 4.02 110.261 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.5 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.318 -0.623 . . . . 4.27 109.318 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 p -113.69 149.74 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 2.68 110.4 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -154.0 153.19 24.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.8 110.989 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 142.35 30.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 0.8 . . . . 1.65 110.001 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -137.12 105.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.97 109.343 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -84.67 144.25 28.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 1.73 110.422 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 23.6 p90 -159.8 149.85 18.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 3.16 110.967 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -102.66 167.55 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 2.97 109.342 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.18 123.16 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 2.06 109.321 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.89 109.275 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.259 -0.645 . . . . 2.71 109.259 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -51.94 -68.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.8 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.13 148.41 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.6 109.982 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -156.87 167.46 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.42 109.997 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.549 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m -138.04 57.1 12.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 2.24 110.398 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.05 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.5 110.994 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 99' ' ' PHE . . . 178.75 44.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 1.4 109.253 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.15 104.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 2.77 110.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.63 37.07 0.5 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.514 1.134 . . . . 0.73 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.6 95.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 0.733 . . . . 1.37 110.014 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -105.46 121.6 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 1.89 110.299 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.99 -40.5 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.1 . . . . 1.22 111.021 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.77 162.05 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 2.39 109.282 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.4 139.88 38.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 2.73 109.265 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.05 164.82 32.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 1.43 110.989 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.12 -49.5 67.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.9 109.264 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -155.42 152.63 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.61 109.278 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.439 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.84 142.22 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 1.82 109.249 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -117.03 151.42 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.394 1.059 . . . . 1.77 110.299 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 16.3 mt -147.65 141.37 25.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.76 109.287 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -134.06 158.65 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.62 109.53 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.9 m-85 -155.67 130.72 9.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 3.27 110.974 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 2.09 109.967 -179.974 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.054 -0.818 . . . . 0.97 111.054 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.75 161.8 40.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.723 . . . . 1.91 109.329 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.03 124.74 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 3.06 109.324 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 5.3 tp -97.38 130.3 44.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.74 109.253 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 m -128.15 134.66 64.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 1.77 109.355 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.05 94.38 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 2.72 110.916 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t -105.76 60.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 2.08 110.384 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 2.1 109.273 -179.965 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.466 0.174 . . . . 3.65 110.955 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.09 139.43 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.75 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.1 p -101.44 167.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 2.06 109.292 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -92.79 111.33 22.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 4.71 109.289 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.62 174.58 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.84 109.263 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.58 144.49 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.73 109.294 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 m -109.78 126.29 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 3.16 109.299 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 13.0 m -143.35 151.41 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.77 109.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 1.41 111.0 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 4.42 109.292 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -107.55 119.31 39.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.98 110.431 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.498 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.93 159.3 15.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 2.29 111.032 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 58' ' ' SER . 7.3 p -153.34 124.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 3.92 109.277 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.18 123.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.67 109.351 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 112.36 33.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.82 110.41 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 136.17 19.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.88 110.967 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.57 -21.84 55.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.72 109.296 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.06 152.45 46.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.93 109.991 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.546 1.814 . . . . 0.81 110.995 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 22.5 mt -74.84 116.8 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 1.74 109.325 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.0 p -88.51 172.08 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.77 110.449 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.525 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -53.07 161.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 1.79 109.32 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.72 -154.58 18.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.66 110.974 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.9 m -132.33 135.13 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 1.63 110.342 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.0 m-85 -136.61 153.93 50.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 3.4 110.973 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HZ1' ' CB ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -122.12 114.24 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 4.24 109.284 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -91.76 98.05 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 1.88 109.302 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.31 117.86 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.74 109.329 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.657 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 33.3 p-90 -114.65 156.11 25.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.68 108.046 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 4.9 110.307 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.644 . . . . 3.45 109.26 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.7 p -109.85 137.33 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 2.42 110.34 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.82 159.93 29.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.63 110.978 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.586 ' CB ' ' HZ1' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -143.36 166.79 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.84 109.976 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.425 HG22 ' CG ' ' A' ' 9' ' ' PRO . 17.7 t -146.45 103.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.59 109.262 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -84.74 142.23 29.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.82 110.408 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 20.6 p90 -152.45 145.5 24.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 3.04 110.954 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -102.47 162.15 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 3.2 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 91.2 t -136.19 122.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.71 109.34 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 4.56 109.298 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.269 -0.641 . . . . 2.08 109.269 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 t -59.45 -78.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 2.69 109.287 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 9.3 m -142.52 154.31 44.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.93 109.974 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 55.2 p -157.93 165.58 34.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.413 1.071 . . . . 0.64 110.019 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.3 m -137.7 58.35 16.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.12 110.458 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.96 -69.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.47 111.027 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 178.14 44.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.97 109.296 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.49 105.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 2.62 110.31 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.34 39.68 2.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.74 110.97 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -71.96 98.72 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 2.43 109.989 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -108.95 125.44 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.19 110.224 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.54 -45.07 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 1.41 110.995 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.92 157.77 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 0.751 . . . . 2.07 109.312 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 101' ' ' VAL . . . -78.65 137.49 58.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 3.03 109.292 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 157.65 42.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.434 1.755 . . . . 1.52 111.07 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.08 -53.89 50.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 2.05 109.369 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 156.77 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 3.47 109.347 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.65 142.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.54 109.301 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.7 mt-10 -116.65 150.1 38.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 2.44 110.332 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 13.3 mt -147.61 144.31 28.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.79 109.316 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -134.83 157.41 46.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.92 109.624 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 4' ' ' LEU . 10.8 m-85 -155.33 108.14 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 3.88 111.01 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.28 110.043 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.94 111.01 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.56 174.21 11.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 1.97 109.325 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.66 127.06 8.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 2.84 109.362 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD2' HG11 ' A' ' 53' ' ' VAL . 13.5 tp -95.22 131.37 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 1.84 109.323 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.55 137.6 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 1.92 109.286 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -93.15 94.68 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 2.54 111.015 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' CG2' ' A' ' 41' ' ' THR . 13.9 t -98.78 59.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 2.22 110.432 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 2.33 109.274 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.514 0.197 . . . . 4.43 110.969 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 143.4 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 2.35 109.327 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.79 166.26 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 2.2 109.298 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -100.32 92.96 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 5.43 109.354 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.49 175.24 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.82 109.35 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.66 150.79 52.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.7 109.299 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.91 123.45 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 3.03 109.295 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 m -131.22 175.65 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.22 110.068 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.91 111.053 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.253 -0.647 . . . . 3.23 109.253 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -95.89 123.85 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.73 110.397 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 mpp? -109.34 162.63 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.9 110.952 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -156.02 122.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.71 109.34 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mp -96.45 126.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 2.03 109.313 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.11 112.13 17.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 2.04 110.338 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 135.56 19.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.89 110.968 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.73 73.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 2.28 109.309 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.3 155.4 36.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.21 110.056 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.31 24.32 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 1.35 111.061 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 38' ' ' LEU . 28.7 mt -85.1 116.25 23.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 1.91 109.311 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -91.09 174.53 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 2.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.507 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -59.35 160.95 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 2.19 109.256 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -143.52 14.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.09 111.023 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.489 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 49.0 m -133.95 141.77 47.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 1.98 110.484 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 30.1 m-85 -144.21 154.85 43.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 3.71 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -133.49 114.33 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 3.83 109.252 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 38' ' ' LEU . 31.7 t -92.79 103.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.83 109.34 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -91.66 117.76 30.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.77 109.274 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.616 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 23.6 p-90 -115.22 153.49 30.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.955 -1.128 . . . . 0.8 107.955 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 6.32 110.292 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.294 -0.632 . . . . 4.31 109.294 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.6 p -138.77 148.38 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 2.53 110.328 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 162.41 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 1.06 110.966 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.41 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -140.06 149.79 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.12 109.992 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 86.3 t -130.48 99.49 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.9 109.297 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 t -84.7 145.9 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.86 110.45 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.8 p90 -157.04 152.79 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 3.27 111.043 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.35 161.26 15.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 4.7 109.307 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -134.28 127.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.06 109.293 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 3.83 109.346 179.972 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.292 -0.632 . . . . 2.17 109.292 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.92 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.82 109.328 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.45 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.4 m -142.05 151.28 42.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.58 109.975 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.9 p -157.56 167.02 31.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.52 109.985 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.0 m -136.49 58.62 21.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.04 110.458 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.96 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.772 . . . . 0.5 110.997 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 175.21 45.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.619 1.2 . . . . 1.6 109.299 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.08 110.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 3.2 110.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 37.57 37.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.71 111.039 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.83 100.87 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.31 109.973 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.62 116.41 31.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 2.12 110.312 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.95 -42.86 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 1.16 110.975 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.21 165.55 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 2.34 109.247 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -85.7 138.61 35.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 2.91 109.257 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.02 139.98 24.85 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.516 1.798 . . . . 1.59 110.989 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.48 -43.92 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 2.67 109.311 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 149.43 25.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 3.12 109.254 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -89.08 140.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.54 109.312 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 mt-10 -107.94 150.46 27.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 2.02 110.319 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 HD11 ' A' ' 68' ' ' ILE . 16.9 mt -146.64 142.79 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.99 109.31 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.533 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.9 m-70 -136.31 156.84 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.79 109.617 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 18.7 m-85 -155.19 95.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 3.43 111.09 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 2.31 109.932 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.01 -0.836 . . . . 1.63 111.01 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 162.02 36.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 1.89 109.316 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -154.92 126.23 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 3.13 109.348 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' HG21 ' A' ' 81' ' ' VAL . 13.7 tp -97.67 129.74 44.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 2.03 109.236 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.2 m -113.59 143.66 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 2.19 109.328 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.572 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -97.45 97.06 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 3.59 111.033 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -109.56 60.53 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 2.35 110.417 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 2.14 109.345 179.992 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.492 0.187 . . . . 4.33 111.035 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.97 145.58 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.26 109.281 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -110.42 158.84 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.83 109.349 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -87.22 116.91 25.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 5.96 109.251 -179.938 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.4 175.02 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 2.08 109.302 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.65 138.02 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 2.36 109.255 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 HD12 ' A' ' 68' ' ' ILE . 2.8 p -103.22 126.75 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 3.22 109.341 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -132.39 175.78 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.57 110.002 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.92 110.907 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.3 -0.63 . . . . 4.02 109.3 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 24' ' ' HIS . 1.2 m -117.97 132.36 56.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 1.74 110.398 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.21 167.54 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.96 110.942 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -156.19 137.52 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 3.76 109.329 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.569 HD11 HD13 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -106.17 123.38 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.552 1.157 . . . . 1.57 109.316 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.48 107.94 23.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 2.2 110.384 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.78 18.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.8 111.003 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.68 61.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 2.18 109.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.73 152.38 44.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.1 110.028 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.2 21.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.572 1.827 . . . . 1.25 111.008 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mt -88.24 117.53 27.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.78 109.289 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -95.25 167.21 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.85 110.36 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -46.38 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.592 1.183 . . . . 1.81 109.314 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.86 -156.2 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.67 110.987 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.4 m -128.53 141.27 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 1.83 110.336 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 13.0 m-85 -142.32 163.14 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 3.4 110.952 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.85 115.59 13.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 5.89 109.317 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 38' ' ' LEU . 38.6 t -91.17 104.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.97 109.29 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -98.28 109.94 22.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 2.09 109.293 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.616 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 61.3 p-90 -105.55 155.74 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.93 107.962 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.458 ' CG ' HG23 ' A' ' 94' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 4.44 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.26 -0.644 . . . . 3.85 109.26 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.458 HG23 ' CG ' ' A' ' 84' ' ' ARG . 71.4 p -131.04 168.48 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 2.09 110.39 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -168.69 160.5 34.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.72 111.031 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.52 150.88 37.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 1.29 110.0 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.7 100.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.95 109.312 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -85.69 137.95 32.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.76 110.367 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.87 152.9 33.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.427 1.079 . . . . 3.12 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -107.33 162.12 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 3.85 109.273 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 97.8 t -136.73 121.0 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.79 109.311 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 3.32 109.307 179.998 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.574 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.299 -0.63 . . . . 1.96 109.299 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.402 ' N ' HD23 ' A' ' 4' ' ' LEU . 47.8 t -54.03 -81.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.568 1.168 . . . . 2.44 109.353 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.447 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -145.42 142.78 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.02 109.994 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 72.9 p -155.98 167.66 29.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.54 109.972 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.544 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -135.85 57.31 18.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.93 110.446 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.94 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.55 110.966 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.67 109.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -42.41 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 3.29 110.295 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 33.37 60.8 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 1.22 111.048 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.36 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 2.67 109.978 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -101.78 128.92 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.22 110.318 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.03 -115.41 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 2.47 111.0 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.43 76.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 4.66 109.259 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 68.8 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 3.6 109.367 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 2.35 110.987 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 2.04 109.349 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 164.37 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 3.09 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -103.88 137.29 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.8 109.279 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 7' ' ' SER . 0.6 OUTLIER -104.9 149.01 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.67 110.354 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 68' ' ' ILE . 13.8 mt -147.9 143.67 27.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.78 109.35 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 38.7 m-70 -141.26 165.79 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.89 109.564 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -155.39 102.66 2.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 3.4 110.975 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.31 110.006 179.971 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.056 -0.818 . . . . 0.93 111.056 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.51 160.16 40.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 0.794 . . . . 1.82 109.293 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -154.9 128.03 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 3.52 109.33 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 7.8 tp -89.68 130.47 35.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.78 109.365 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG2' ' HG3' ' A' ' 80' ' ' LYS . 11.2 m -126.88 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 2.02 109.319 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -93.39 94.94 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 2.54 111.042 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 41' ' ' THR . 13.3 t -102.54 59.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 2.02 110.348 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 2.13 109.32 179.962 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtp . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.518 0.199 . . . . 3.46 110.989 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 141.77 57.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.9 109.307 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 2.8 p -113.54 137.8 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 2.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.6 91.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 4.03 109.316 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.58 175.16 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 2.11 109.356 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.68 139.18 43.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 2.49 109.282 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -105.59 117.96 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 4.14 109.264 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -113.2 174.24 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 1.64 109.951 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 1.35 111.03 179.973 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.321 -0.622 . . . . 3.57 109.321 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -104.17 117.08 33.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 2.21 110.36 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.408 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -122.79 151.25 41.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 2.5 111.003 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.16 118.15 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 2.84 109.291 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 HD11 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -88.53 123.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 2.36 109.359 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.4 101.36 13.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.91 110.409 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 1.02 110.922 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.02 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 2.44 109.328 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.88 147.49 33.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.19 109.998 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.65 10.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.438 1.757 . . . . 1.22 110.954 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.13 117.54 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 1.86 109.297 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -87.08 160.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.98 110.427 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -44.99 151.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.81 109.311 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.95 -160.53 23.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.108 . . . . 0.57 110.971 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 44.7 m -124.96 137.9 54.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.6 110.373 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 m-85 -141.36 173.31 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 3.07 111.015 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -153.49 120.41 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 3.58 109.319 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.6 t -84.96 107.48 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 2.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.39 118.26 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 2.32 109.324 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.605 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 19.2 p-90 -116.85 149.2 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.72 107.99 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 3.63 110.348 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 3.45 109.292 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.0 p -121.63 142.38 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 2.23 110.412 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.19 164.09 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.61 110.986 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.66 149.91 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 1.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 15.9 t -126.36 106.82 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 1.64 109.305 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.6 t -87.79 135.33 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.71 110.346 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.8 p90 -146.77 160.65 41.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 3.27 111.024 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 162.06 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 4.81 109.281 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 17.0 t -145.53 112.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.93 109.277 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 3.15 109.362 179.937 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.242 -0.651 . . . . 1.82 109.242 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.429 ' N ' HD22 ' A' ' 4' ' ' LEU . 71.1 t -64.91 -84.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 1.84 109.354 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.432 ' N ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -133.89 150.4 51.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.69 109.98 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.423 ' CB ' HD22 ' A' ' 23' ' ' LEU . 79.9 p -157.31 165.38 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.49 110.035 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.524 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.8 m -136.9 58.3 18.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.66 110.384 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -64.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.782 . . . . 0.47 110.995 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 164.46 45.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 2.09 109.298 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.59 109.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 3.08 110.346 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.35 53.25 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 1.2 111.015 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.29 116.5 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 1.89 110.041 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -101.84 122.61 44.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 3.09 110.276 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.3 -87.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 2.14 110.97 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.871 ' HB2' ' OXT' ' A' ' 102' ' ' LYS . . . -177.47 -169.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 2.41 109.256 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -43.52 109.69 0.83 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 3.6 109.318 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -170.62 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 2.36 110.996 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.79 -71.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 1.93 109.33 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.72 150.83 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 3.62 109.339 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -86.56 145.86 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.55 109.335 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 tt0 -117.05 149.32 40.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 2.34 110.277 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.727 HD12 HD11 ' A' ' 68' ' ' ILE . 12.2 mt -147.85 143.72 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.65 109.322 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.532 ' CE1' ' OG1' ' A' ' 65' ' ' THR . 61.3 m-70 -134.55 156.97 47.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.71 109.646 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 6.5 m-85 -152.91 106.87 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 4.06 111.039 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 1.65 109.992 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.006 -0.838 . . . . 1.32 111.006 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.66 160.26 39.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 1.85 109.313 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 3.03 109.309 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 3.0 tp -93.86 137.96 32.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 2.05 109.329 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 38' ' ' LEU . 17.1 m -132.4 134.98 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.7 109.328 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 13.2 ttt -88.08 96.28 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 3.62 111.008 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -105.0 58.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.077 . . . . 2.08 110.415 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 2.08 109.285 -179.998 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mmt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.518 0.199 . . . . 3.17 111.0 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.46 160.65 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 1.96 109.332 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.13 124.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 2.39 109.265 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -52.35 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 4.59 109.332 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.48 174.15 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.57 109.288 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.66 145.29 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 2.05 109.371 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -92.56 131.2 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 3.41 109.272 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.61 124.66 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.31 109.986 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.94 111.026 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.351 -0.611 . . . . 3.34 109.351 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.532 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.5 m -108.19 114.87 29.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.77 110.447 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.414 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpp -98.85 153.5 18.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 2.08 110.944 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.66 116.98 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.583 1.177 . . . . 2.73 109.288 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.727 HD11 HD12 ' A' ' 23' ' ' LEU . 1.1 mp -87.88 122.97 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.53 109.317 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.73 111.32 22.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.8 110.354 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.53 1.805 . . . . 0.63 111.065 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.41 -17.58 63.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 2.04 109.279 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 149.97 51.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.9 110.0 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.05 16.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.9 110.991 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.05 115.19 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 2.1 109.279 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -84.68 165.65 17.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 1.82 110.376 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.28 131.92 24.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.73 109.265 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.2 -158.28 27.73 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.586 1.179 . . . . 0.98 111.039 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 17.0 m -129.94 138.33 50.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 1.76 110.383 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.7 m-85 -139.92 173.81 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 3.23 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 114.34 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 2.59 109.245 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 38' ' ' LEU . 64.9 t -85.48 110.24 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.84 109.289 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.32 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.87 109.337 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.597 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 24.3 p-90 -118.84 152.26 36.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.194 . . . . 0.61 107.949 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 4.83 110.365 179.973 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.255 -0.646 . . . . 4.0 109.255 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.5 p -89.13 148.29 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 2.08 110.399 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.37 158.74 30.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.55 111.028 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 160.48 40.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 0.757 . . . . 1.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' PRO . 7.5 t -138.28 109.8 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.71 109.317 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.1 133.59 35.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.81 110.449 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -141.23 157.35 45.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 3.09 110.941 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -106.87 159.36 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 5.93 109.29 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 17' ' ' ALA . 48.9 t -140.3 114.92 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 1.96 109.247 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.871 ' OXT' ' HB2' ' A' ' 16' ' ' ALA . 5.9 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 2.82 109.329 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.345 -0.613 . . . . 1.82 109.345 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.36 -78.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 2.06 109.277 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -144.4 151.77 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.69 110.019 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.434 ' CB ' HD21 ' A' ' 23' ' ' LEU . 59.4 p -156.48 165.24 36.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.37 109.99 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.9 m -138.68 60.51 19.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.8 110.425 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.98 -77.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.41 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.34 47.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.47 109.28 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -44.37 103.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 2.25 110.295 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.82 36.89 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.78 110.952 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.74 96.6 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.25 109.922 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.42 122.26 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.74 110.274 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -52.23 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 1.3 110.957 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.89 162.22 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 0.722 . . . . 2.05 109.271 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.95 140.39 73.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 2.58 109.318 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -74.97 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 3.16 110.965 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 18' ' ' PRO . . . 84.62 -48.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 3.06 109.278 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.04 27.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.41 109.243 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -108.98 147.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.81 109.324 -179.946 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -117.36 147.99 42.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.42 110.321 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 13.6 mt -148.11 144.81 28.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.75 109.308 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 59.6 m-70 -137.43 154.85 49.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.78 109.57 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -154.9 164.85 38.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 3.33 111.012 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.5 109.956 -179.963 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.86 110.973 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.55 163.47 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.75 109.353 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -155.69 128.77 8.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 3.35 109.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 81' ' ' VAL . 59.0 tp -90.92 130.66 36.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 2.33 109.313 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.84 140.86 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 2.02 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.8 ttm -94.31 95.67 9.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 3.78 111.009 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -122.54 59.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 2.2 110.378 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 2.37 109.341 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.3 mtp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.557 0.218 . . . . 4.0 111.019 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 138.6 25.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 1.86 109.255 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.36 158.06 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 1.86 109.291 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -79.93 99.47 7.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 5.98 109.276 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.59 174.86 10.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 1.64 109.343 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.13 144.99 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.84 109.364 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.17 127.13 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 3.32 109.308 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -136.25 128.99 30.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 1.44 109.963 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 1.31 111.06 179.944 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.24 -0.652 . . . . 2.9 109.24 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -93.59 116.07 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 1.87 110.432 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.477 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.08 147.18 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.91 110.987 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 t -145.41 114.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 2.67 109.317 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.413 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -84.7 117.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.62 109.224 -179.899 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.69 106.02 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.6 110.376 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 135.06 18.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.527 1.803 . . . . 0.59 111.077 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.99 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.63 109.322 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 151.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.1 110.06 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.09 17.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 1.12 111.027 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.49 116.77 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 2.28 109.28 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -98.1 174.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 2.31 110.356 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.499 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.58 172.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 2.06 109.306 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.72 -146.02 18.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.94 110.999 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 m -154.03 135.98 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 1.76 110.411 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -138.79 174.43 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 3.48 111.013 -179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.61 114.72 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.15 109.31 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 38' ' ' LEU . 16.3 t -85.23 118.57 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.83 109.302 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.75 129.82 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 1.78 109.32 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 1.625 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 49.4 p-90 -125.41 159.48 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.947 -1.131 . . . . 0.55 107.947 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.81 110.267 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.263 -0.643 . . . . 3.83 109.263 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.9 p -84.67 175.03 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 2.1 110.429 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 176.82 148.42 7.1 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 0.91 111.002 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.49 148.83 44.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.95 110.02 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.44 HG22 ' CG ' ' A' ' 9' ' ' PRO . 2.6 t -131.48 107.78 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 1.85 109.272 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.9 t -86.05 141.62 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 1.74 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -149.84 146.79 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 3.33 111.016 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HZ1' HG21 ' A' ' 78' ' ' THR . 10.2 mttm -106.08 163.37 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 4.03 109.224 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.499 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 81.7 t -145.87 121.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 1.92 109.289 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 3.12 109.273 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.717 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.587 -0.523 . . . . 11.56 109.587 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.717 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.98 134.49 17.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 5.4 111.024 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.73 153.07 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 6.39 109.329 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.44 167.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.87 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.9 t -55.49 -77.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 1.97 109.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.9 146.51 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.8 110.008 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.467 ' CB ' HD23 ' A' ' 23' ' ' LEU . 31.2 p -156.32 163.13 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.55 110.004 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.511 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.1 m -136.23 59.03 24.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 2.03 110.39 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 -73.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.46 110.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.27 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 1.61 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.35 101.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 2.36 110.293 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.0 41.35 6.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.79 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -74.58 93.24 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 2.94 109.964 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' CB ' ' HB2' ' A' ' 100' ' ' LYS . 11.2 mt-10 -107.85 129.17 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 2.6 110.327 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.59 -44.32 0.99 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.7 110.992 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.76 161.74 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 2.02 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 138.38 55.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 2.39 109.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 1.39 110.981 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.93 -53.63 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.75 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -155.27 151.52 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 3.26 109.334 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.446 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.68 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.66 109.329 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -114.35 148.48 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.62 110.293 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 12.9 mt -147.83 144.28 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 1.82 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 54.4 m-70 -141.15 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.9 109.62 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 3.1 m-85 -154.7 129.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 4.53 110.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -69.96 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 1.99 109.986 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.81 61.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 4.32 110.337 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' LEU . 8.5 t30 -62.24 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 4.69 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER 38.79 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 7.16 109.307 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 34' ' ' SER . 55.1 t -64.55 -98.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 6.5 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.428 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 2.0 m 47.6 46.36 17.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 5.55 110.364 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.94 -81.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 6.24 110.269 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -161.81 26.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 5.26 111.035 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -85.29 146.3 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.78 109.998 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.55 -161.0 29.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 1.09 111.052 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.53 152.98 29.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 2.02 109.317 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -155.01 125.04 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 2.95 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 tp -95.45 134.03 38.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.75 109.331 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -129.77 132.23 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.83 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.523 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -88.88 95.49 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 3.9 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -111.05 63.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 2.03 110.407 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.17 179.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 2.18 109.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtm -37.83 156.81 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 5.44 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 3.55 110.975 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 -47.76 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.15 . . . . 4.24 110.948 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -103.99 66.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 5.47 110.991 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 4.0 tt0 41.61 51.64 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 6.51 110.257 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 15.0 p-80 47.5 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 7.86 109.586 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.74 94.81 45.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 2.47 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 159.13 41.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 1.59 110.96 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.5 131.12 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 3.3 111.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.73 142.61 54.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 2.08 109.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.3 p -101.3 161.42 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 1.82 109.258 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -84.02 86.19 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 4.09 109.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.96 175.21 8.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.63 109.343 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.21 151.07 43.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.72 109.249 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -109.17 125.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 3.15 109.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.8 m -141.32 132.95 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.18 109.996 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.66 154.19 39.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.85 111.021 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.54 -142.29 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.025 -0.83 . . . . 2.02 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -35.84 91.97 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 2.63 111.006 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -104.53 152.72 39.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 3.31 109.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.21 20.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.758 . . . . 2.06 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.76 3.77 49.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 2.58 109.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 m -118.37 122.29 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 1.86 110.385 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.467 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 2.1 tpp -103.08 148.17 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 2.45 111.026 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 36.3 t -144.99 108.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 2.69 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -86.54 125.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 1.5 109.351 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.94 109.48 15.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 1.82 110.387 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 135.04 18.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.441 1.759 . . . . 0.58 111.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.69 -21.79 63.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 1.83 109.322 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.99 152.3 46.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.02 109.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.47 16.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 1.1 111.021 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 27.4 mt -75.65 116.08 15.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 1.7 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.0 p -84.98 167.28 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.67 110.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.437 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -51.21 164.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 2.06 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.19 -149.0 17.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.1 . . . . 0.78 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.468 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 70.5 m -132.49 138.97 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 2.1 110.405 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 9.0 m-85 -138.05 160.71 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 3.21 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -132.87 117.59 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 3.48 109.312 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.61 100.55 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 1.66 109.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.65 126.71 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 1.62 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.587 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 37.9 p-90 -125.46 157.97 35.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.59 108.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -141.57 119.83 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 5.72 110.295 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.18 141.55 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.98 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.5 p -153.4 129.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 4.61 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -89.16 -70.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 4.84 109.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.18 87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 4.21 109.99 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 90' ' ' THR . 3.4 t0 174.85 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 6.6 109.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 15.2 t 49.32 -173.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 4.81 110.355 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.48 ' HD1' ' C ' ' A' ' 91' ' ' HIS . 0.3 OUTLIER 42.15 88.77 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 6.47 109.645 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 148.38 35.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.767 . . . . 2.05 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.6 ' N ' HD13 ' A' ' 93' ' ' ILE . 4.3 mp -90.17 124.39 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 3.31 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.3 p -109.32 147.49 32.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.88 110.408 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.28 153.43 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.63 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.77 143.82 45.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.738 . . . . 0.86 109.994 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 70.0 t -125.84 99.6 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.85 109.251 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.412 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.5 t -85.0 146.12 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 1.66 110.439 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 12.8 p90 -155.59 147.97 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 3.17 110.964 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 14' ' ' GLU . 58.5 mtpt -102.01 163.07 12.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 3.37 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 97.9 t -138.94 120.83 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 1.7 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 4.47 109.29 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.762 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.618 -0.512 . . . . 11.18 109.618 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.762 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.5 Cg_endo -74.91 145.52 31.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 6.25 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.33 125.66 10.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 6.63 109.236 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.26 175.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 1.84 109.297 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.39 -77.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 2.01 109.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -152.21 146.47 25.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.72 109.973 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.43 ' CB ' HD22 ' A' ' 23' ' ' LEU . 46.7 p -155.83 163.92 39.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.5 110.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.48 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.6 m -138.09 60.57 23.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 1.63 110.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.0 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.49 111.017 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.19 44.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 1.39 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.15 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.69 110.227 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 34.75 3.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.7 111.018 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.31 98.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 1.45 109.978 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -111.55 123.7 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 1.99 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.17 -48.2 0.52 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 1.18 110.948 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.94 167.56 12.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 1.98 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.5 130.64 85.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 2.19 109.236 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.97 146.28 32.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 1.24 110.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.25 -57.69 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 1.85 109.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -152.37 171.71 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.601 1.188 . . . . 3.99 109.246 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -105.36 140.63 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.55 109.281 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -113.95 147.5 38.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.86 110.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.882 HD11 HD11 ' A' ' 68' ' ' ILE . 13.1 mt -147.47 144.0 28.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.47 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.414 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 62.9 m-70 -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.95 109.673 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 19.9 m-85 -151.46 97.95 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 4.31 110.965 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -70.03 -8.65 50.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 2.3 109.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . 7.1 pt-20 -100.36 32.55 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 6.15 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 27' ' ' GLU . 7.1 t-20 62.09 136.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 4.69 109.351 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 HD22 ' CG ' ' A' ' 25' ' ' PHE . 1.5 tm? -98.46 -65.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 8.69 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 1.4 t 62.43 124.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 4.55 109.339 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 31' ' ' THR . 14.1 t -88.48 64.52 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 4.96 110.385 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 4.1 tp60 -98.43 -46.23 5.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 4.99 110.297 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -146.04 19.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 5.01 111.015 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -94.55 172.34 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.85 109.951 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.7 -173.09 37.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.6 1.187 . . . . 0.88 111.016 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.69 158.27 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 1.71 109.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -154.91 118.55 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 4.26 109.382 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 81' ' ' VAL . 5.7 tp -88.64 130.26 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 1.77 109.259 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 m -123.08 131.46 73.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 1.78 109.315 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.453 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 3.5 tmm? -88.77 95.33 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 3.36 110.97 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.3 t -106.68 60.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 2.03 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.43 12.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.07 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.05 143.03 40.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 6.07 111.005 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 3.7 111.0 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.29 -61.05 6.04 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.543 1.152 . . . . 5.07 111.015 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -140.98 93.1 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 0.714 . . . . 5.56 110.99 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' CD ' ' NE2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER 55.67 73.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 6.6 110.333 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' NE2' ' CD ' ' A' ' 47' ' ' GLU . 15.6 p80 44.35 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 7.61 109.606 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.57 76.42 54.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 2.72 109.939 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.26 20.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 2.13 110.958 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.8 mtm -121.75 131.17 53.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 3.27 110.964 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.97 144.73 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 1.93 109.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -115.16 151.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.405 1.066 . . . . 2.08 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 130.84 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 3.89 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.71 174.89 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 1.6 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.48 144.43 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 1.74 109.245 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -111.3 125.79 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 2.83 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -125.61 174.77 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.22 110.031 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.84 153.75 20.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 1.14 111.02 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.17 55.22 5.0 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 110.926 -0.87 . . . . 2.2 110.926 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.04 -54.47 3.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.596 0.821 . . . . 3.2 111.058 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -82.56 146.81 54.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 2.82 109.305 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.74 10.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 1.55 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -94.68 -26.58 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 4.54 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -99.26 128.06 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 2.25 110.464 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -126.4 155.05 42.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.9 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.12 121.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 3.03 109.273 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.882 HD11 HD11 ' A' ' 23' ' ' LEU . 1.3 mp -95.88 128.93 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 1.75 109.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.6 111.7 10.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 1.69 110.423 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 135.24 18.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.69 110.979 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.78 109.312 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -95.27 146.84 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.14 110.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.81 110.978 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.0 mt -77.67 116.33 18.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 1.95 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.9 p -91.32 168.44 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 1.71 110.416 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -49.24 150.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.87 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.16 -150.54 20.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.12 . . . . 0.71 111.043 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 m -134.06 134.1 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 1.6 110.399 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 21.5 m-85 -138.09 159.66 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 3.03 111.012 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.63 118.58 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 4.05 109.261 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 38' ' ' LEU . 48.0 t -94.62 105.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 1.6 109.273 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 117.42 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 1.85 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.645 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 31.9 p-90 -115.3 159.73 20.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.981 -1.118 . . . . 0.69 107.981 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -146.14 124.08 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 4.64 110.283 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.95 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 1.88 109.268 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.4 t -148.52 115.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 3.52 109.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -89.07 -39.93 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 4.68 109.987 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.97 173.82 15.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 3.47 109.962 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 91.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 7.41 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 90' ' ' THR . 9.9 t -175.22 74.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 6.18 110.434 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.6 m80 61.26 113.5 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 5.76 109.674 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 1.92 110.955 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.56 ' N ' HD13 ' A' ' 93' ' ' ILE . 4.7 mp -106.94 99.93 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 3.42 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.1 p -88.45 151.88 22.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 1.7 110.432 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.21 150.15 19.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.621 1.2 . . . . 0.59 111.068 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.83 142.59 38.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.91 109.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.3 t -126.16 110.85 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 1.67 109.342 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.3 t -90.64 141.58 28.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 1.64 110.411 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -153.97 147.59 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 3.04 111.011 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -103.82 167.21 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 4.54 109.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 81.2 t -142.31 119.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 1.66 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 4.23 109.312 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.727 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.586 -0.524 . . . . 10.77 109.586 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.727 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.98 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.475 1.776 . . . . 6.95 111.052 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -109.99 163.98 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.061 . . . . 6.54 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.32 174.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 2.19 109.307 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.4 t -55.86 -77.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 1.82 109.33 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -147.9 150.49 34.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.83 109.998 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.439 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 81.1 p -155.96 167.3 30.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 0.52 109.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 15.3 m -140.23 58.37 10.59 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 1.72 110.353 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.02 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.47 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 163.45 45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 1.52 109.308 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -43.03 110.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 2.36 110.299 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.53 35.05 0.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.538 1.149 . . . . 0.82 110.982 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.25 98.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 1.28 110.02 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -106.21 119.88 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.7 110.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.85 -50.76 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.431 1.082 . . . . 1.13 110.959 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.33 169.39 12.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 0.737 . . . . 1.84 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -67.9 137.33 92.38 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 2.12 109.299 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.43 21.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.424 1.749 . . . . 1.61 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.51 -51.33 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 2.25 109.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 157.18 37.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 4.01 109.282 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -100.34 137.87 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 1.48 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.9 tt0 -112.68 149.76 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.99 110.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.855 HD12 HD11 ' A' ' 68' ' ' ILE . 14.9 mt -147.64 143.54 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 1.62 109.326 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.442 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 55.9 m-70 -136.55 148.81 47.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.83 109.603 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 11.7 m-85 -149.42 95.79 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 3.68 111.043 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -71.2 -8.26 52.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.69 109.982 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.79 35.68 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 5.21 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.4 144.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 4.57 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 25' ' ' PHE . 33.2 tp -132.76 75.26 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 8.94 109.339 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.15 158.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 4.74 109.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -104.41 58.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 4.86 110.415 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.27 -51.24 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 5.26 110.294 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.58 14.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 5.05 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 p -85.71 162.2 18.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 1.82 110.035 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.91 -166.78 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 1.04 111.042 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.08 159.89 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 2.29 109.295 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.13 118.48 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 4.66 109.313 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 46.5 tp -85.68 137.76 32.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 2.15 109.298 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.26 135.4 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 2.06 109.272 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.9 ttt -98.21 96.6 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 2.65 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.3 t -109.89 59.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 1.82 110.419 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.74 132.14 35.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 2.47 109.3 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.0 tpt 49.03 98.07 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 5.05 110.971 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.25 13.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 5.18 111.045 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.2 50.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.555 1.16 . . . . 6.0 111.045 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -147.05 60.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 5.77 110.979 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 39.06 53.91 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 5.97 110.28 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 47' ' ' GLU . 7.8 p80 41.02 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 9.31 109.676 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.93 66.92 41.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 2.48 110.055 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 146.72 33.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 1.67 111.049 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -101.39 110.01 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 5.47 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.98 144.33 56.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.9 109.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 11.6 p -130.03 155.86 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 2.5 109.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.55 134.63 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 5.14 109.278 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.26 174.87 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 1.86 109.33 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.65 146.15 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 2.22 109.292 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.03 121.76 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 2.95 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -117.54 175.46 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.54 110.007 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.65 150.71 21.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 1.42 111.038 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.67 -137.92 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.933 -0.867 . . . . 2.14 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.49 -34.94 48.74 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.975 -0.85 . . . . 2.93 110.975 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.66 156.11 41.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 3.6 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.819 . . . . 1.63 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -86.77 -23.86 25.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 3.31 109.258 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -102.13 118.25 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 1.89 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.5 150.55 38.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 2.71 110.949 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.16 115.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 3.18 109.203 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.855 HD11 HD12 ' A' ' 23' ' ' LEU . 1.5 mp -87.48 131.44 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 1.6 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -141.05 100.38 6.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.77 110.465 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.19 18.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.439 1.757 . . . . 0.96 110.958 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.83 82.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 1.87 109.323 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.98 139.89 88.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.41 109.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 1.16 110.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 37.3 mt -79.92 116.89 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.83 109.235 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 p -101.25 175.04 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 2.27 110.415 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.27 163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 1.66 109.325 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.66 -159.99 13.89 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.46 1.1 . . . . 0.64 111.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 88.9 m -128.03 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.623 0.837 . . . . 1.88 110.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.6 m-85 -141.73 169.18 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 3.28 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.94 114.82 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 3.4 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 38' ' ' LEU . 2.7 t -89.91 112.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 2.54 109.337 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.09 124.04 38.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 2.42 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.607 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 29.8 p-90 -120.4 157.49 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.75 108.007 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -146.89 134.9 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 3.98 110.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . . . -122.29 156.8 33.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 1.74 109.273 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.71 149.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 3.86 109.326 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.63 30.08 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 4.07 109.946 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.83 -64.31 0.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 3.5 110.046 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -104.8 -176.47 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 5.27 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.0 p 47.1 -172.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 5.32 110.431 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.15 154.45 74.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 8.99 109.582 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.24 35.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.763 . . . . 3.27 111.023 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.56 129.04 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 4.9 109.244 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.3 p -97.28 162.19 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 2.2 110.473 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.55 157.41 29.12 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.486 1.116 . . . . 0.81 110.951 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.12 150.1 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 1.05 110.029 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 52.4 t -132.14 102.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.93 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.8 t -85.54 138.92 31.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 1.75 110.443 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 43.3 p90 -148.93 152.42 36.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 3.22 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -103.14 161.34 13.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.91 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 17' ' ' ALA . 96.2 t -138.17 118.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 1.7 109.231 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 4.08 109.271 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.592 -0.521 . . . . 10.07 109.592 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.96 53.84 3.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 5.26 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.17 160.06 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.583 1.177 . . . . 5.51 109.238 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.74 164.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.88 109.332 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 t -62.0 -83.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 2.12 109.225 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' C ' HD21 ' A' ' 4' ' ' LEU . 2.2 m -137.08 153.13 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.65 110.035 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 81.8 p -156.43 167.61 29.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.4 109.993 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 59.9 m -138.68 59.65 17.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.93 110.368 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -63.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.43 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 166.75 48.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 1.64 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.19 108.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 3.1 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 33.83 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.77 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.85 99.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.33 109.941 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.66 120.67 43.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.75 110.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.6 -46.5 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 1.24 110.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.14 167.42 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 0.729 . . . . 2.04 109.356 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -71.59 138.34 83.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 2.28 109.276 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.0 129.62 12.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 1.57 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.81 -52.49 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 1.9 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 146.64 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 3.3 109.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -89.04 138.86 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 1.51 109.31 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.4 tt0 -110.9 149.71 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 2.13 110.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 68' ' ' ILE . 12.9 mt -147.67 144.6 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.58 109.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -134.73 157.14 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 1.02 109.582 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.1 m-85 -154.68 114.58 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 3.57 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.3 p -70.13 -12.13 61.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.6 110.003 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ASN . 2.8 mm-40 -122.92 142.86 50.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 4.45 110.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -40.78 131.07 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 6.47 109.319 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' CD1' ' HG ' ' A' ' 34' ' ' SER . 1.2 tm? -78.28 -54.36 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 8.29 109.34 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 1.2 t 63.01 125.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 5.03 109.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -88.58 66.95 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 4.89 110.392 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 1.7 tp-100 -101.08 -49.58 4.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 4.98 110.283 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -146.29 18.57 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 5.12 110.981 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.611 ' HG ' ' CD1' ' A' ' 29' ' ' LEU . 51.8 p -87.21 172.16 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 2.06 110.069 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.47 161.66 9.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.94 110.956 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.6 158.5 44.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 1.82 109.283 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.95 128.83 8.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 3.42 109.236 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 81' ' ' VAL . 6.7 tp -96.81 142.68 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 1.87 109.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.57 136.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 1.94 109.287 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.4 tmm? -88.17 95.68 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 3.23 110.984 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -106.96 64.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 2.06 110.371 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . -49.32 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.12 109.285 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -40.23 161.77 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 6.45 111.017 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 85.08 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.595 1.84 . . . . 3.64 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.76 -35.98 5.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.477 1.111 . . . . 4.38 110.989 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.7 mtp -127.56 175.17 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.614 0.832 . . . . 5.52 111.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 89.96 0.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 5.51 110.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.1 m80 43.07 89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 6.44 109.616 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m -132.02 69.04 80.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 3.24 109.952 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 168.34 25.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 2.02 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtt -151.83 130.89 12.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 3.0 111.022 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.25 145.02 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.96 109.281 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 4.2 p -110.9 142.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 1.85 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -72.09 102.17 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 4.41 109.315 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.41 174.59 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.89 109.25 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.24 138.84 38.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.73 109.29 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -101.77 119.7 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 3.78 109.334 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.5 m -115.24 173.85 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.47 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.42 145.11 15.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 1.36 111.058 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.64 -157.99 0.92 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.993 -0.843 . . . . 2.07 110.993 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.38 -45.93 73.96 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.002 -0.839 . . . . 2.67 111.002 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.69 153.91 38.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 3.48 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -1.67 11.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.4 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -18.71 29.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 2.56 109.275 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -98.76 134.16 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.96 110.426 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.98 145.85 51.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 2.25 110.986 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.09 117.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 3.17 109.263 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 ' CD1' HD12 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -86.02 121.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 1.83 109.212 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.483 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.7 OUTLIER -132.84 95.78 18.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 1.88 110.366 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 135.79 19.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.99 111.011 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.47 82.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 2.09 109.326 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.51 138.63 35.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.09 109.95 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.02 15.97 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.828 . . . . 0.83 110.992 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 29.7 mt -79.91 116.14 19.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.91 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -86.62 172.21 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 1.81 110.42 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.49 171.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 1.75 109.252 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.16 -152.64 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.73 111.017 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.467 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -129.86 136.04 49.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 2.03 110.432 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.9 m-85 -137.44 150.2 47.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 3.42 111.016 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.58 114.93 14.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 2.67 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.412 HG23 ' CD1' ' A' ' 38' ' ' LEU . 22.3 t -89.17 150.67 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 2.26 109.241 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -130.63 121.12 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 2.16 109.224 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.637 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 22.9 p-90 -116.07 157.22 25.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.6 108.03 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -145.91 128.29 15.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.74 110.328 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.5 158.25 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 2.07 109.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 p -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 4.34 109.246 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 t -154.55 57.75 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 3.72 110.028 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t 41.41 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 3.74 110.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -170.95 158.92 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 6.72 109.279 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -56.91 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 6.45 110.346 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -83.61 121.76 76.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 7.31 109.594 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.81 . . . . 2.34 111.041 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.409 ' H ' HD13 ' A' ' 93' ' ' ILE . 4.3 mp -92.53 130.98 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 3.79 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -119.3 167.6 11.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 2.35 110.449 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.578 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 177.59 156.74 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.569 1.168 . . . . 0.56 111.001 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.13 158.71 43.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.89 109.999 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -138.1 108.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.71 109.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -89.95 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 1.62 110.396 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 24.0 p90 -151.82 150.16 29.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 3.19 110.987 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -100.94 168.2 9.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 3.41 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.6 t -144.19 117.62 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.92 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 5.16 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.533 -0.544 . . . . 11.91 109.533 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.11 30.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 5.21 111.004 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -118.66 165.24 14.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 6.04 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.558 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -53.79 173.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.381 1.051 . . . . 1.97 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 4' ' ' LEU . 85.2 t -57.1 -79.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.76 109.372 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.5 m -145.3 151.83 38.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.63 109.938 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.447 ' CB ' HD22 ' A' ' 23' ' ' LEU . 73.9 p -155.88 166.36 33.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.35 110.0 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.516 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.0 m -136.71 58.9 21.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 2.16 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.6 Cg_endo -74.98 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.52 111.03 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 164.48 46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.68 109.352 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.55 107.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 2.14 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.95 51.39 4.14 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.102 . . . . 0.82 111.037 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.43 101.7 14.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.37 109.999 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.97 123.38 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.01 110.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.02 -50.57 0.5 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.133 . . . . 1.43 111.019 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.68 170.24 8.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 0.826 . . . . 1.95 109.242 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -90.47 136.34 28.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 2.83 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 1.41 111.005 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -50.6 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 2.22 109.338 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 155.25 33.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 5.01 109.288 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.76 145.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 1.54 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 3.2 tt0 -113.97 148.48 36.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 2.41 110.228 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 HD11 HD11 ' A' ' 68' ' ' ILE . 14.4 mt -148.52 142.77 26.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 1.52 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -135.21 159.83 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.88 109.607 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 19.9 m-85 -154.99 151.9 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 3.48 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.81 -14.71 55.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 2.11 109.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -152.15 -45.98 0.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.562 1.164 . . . . 5.95 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 63' ' ' PRO . 8.8 t30 60.26 -87.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 4.73 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 39.15 79.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 7.01 109.355 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' O ' ' CG2' ' A' ' 31' ' ' THR . 81.9 t -54.42 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 5.96 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 11.2 t 47.9 23.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 7.24 110.383 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.68 -142.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 6.49 110.301 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -113.7 55.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 6.03 111.057 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.3 t -91.32 166.87 12.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 1.89 110.02 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.51 178.07 27.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.91 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 167.54 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 0.717 . . . . 1.96 109.321 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -155.33 129.48 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 3.1 109.344 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.0 tp -96.13 133.54 40.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 1.92 109.315 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.38 139.77 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 1.65 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.444 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.5 tmm? -93.95 96.68 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 3.54 110.99 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 41' ' ' THR . 10.0 t -116.66 79.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.95 110.407 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.4 -178.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 2.19 109.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mtp -37.92 139.35 0.61 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 4.72 111.02 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 96.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 3.95 111.008 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.78 42.6 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 5.02 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -148.36 59.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 8.04 111.019 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' MET . 2.9 tt0 38.45 42.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 8.51 110.222 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 43.47 88.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 6.24 109.571 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -129.14 70.54 81.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.79 109.991 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 164.25 33.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.798 . . . . 2.36 111.028 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.99 147.02 26.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 3.75 111.038 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.72 149.4 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 2.02 109.245 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.0 p -102.22 155.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 2.25 109.335 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -87.91 84.36 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 4.14 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.27 173.99 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 1.69 109.251 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.63 149.66 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 2.08 109.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -101.58 126.84 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 3.56 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -132.27 136.88 47.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 1.31 109.993 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.86 169.79 37.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.99 110.998 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.48 -142.4 12.96 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.022 -0.831 . . . . 2.1 111.022 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.66 -25.21 74.04 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 2.72 110.99 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -107.94 145.35 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 3.25 109.266 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.4 Cg_endo -75.01 -14.49 21.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.503 1.791 . . . . 2.16 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -87.24 -17.42 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 2.81 109.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -91.28 131.6 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.89 110.34 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.88 135.71 43.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 2.25 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' SER . 2.7 m -134.24 123.69 44.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 3.13 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.568 HD11 HD11 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.68 120.4 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 1.69 109.319 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.38 105.06 33.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 1.65 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.05 134.89 18.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.53 111.031 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.19 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 1.89 109.264 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 150.01 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.82 110.041 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.79 17.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.84 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 28.9 mt -81.56 116.33 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 1.67 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -93.8 172.89 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 1.64 110.427 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -49.32 175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.92 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.71 -153.17 17.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.78 111.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m -134.77 134.19 40.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 1.78 110.35 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 13.3 m-85 -132.9 167.14 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 3.22 110.961 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 116.78 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 3.27 109.318 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 t -90.98 104.19 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 1.78 109.304 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.0 115.65 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.07 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.591 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 46.5 p-90 -112.8 154.94 25.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.53 108.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -145.4 130.35 18.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 4.24 110.244 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.38 107.88 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.91 109.281 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.1 t -101.02 134.21 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 4.25 109.318 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.12 151.16 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 4.37 109.995 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -67.59 80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 4.63 110.044 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -131.91 -52.65 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 7.7 109.28 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -178.58 -56.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 6.4 110.383 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' HD1' ' HA ' ' A' ' 91' ' ' HIS . 0.3 OUTLIER -137.2 159.05 71.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 6.81 109.576 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 158.06 42.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.515 1.797 . . . . 1.91 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.84 127.34 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 3.6 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.2 p -115.54 140.69 48.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 1.74 110.413 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -149.33 162.24 28.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.56 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.42 143.88 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 1.07 109.984 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.476 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 24.2 t -130.58 97.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 1.7 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.6 t -84.56 139.41 32.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 1.87 110.402 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.0 p90 -152.61 149.26 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 3.14 110.94 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -99.78 166.69 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 3.96 109.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.5 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -145.65 116.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 1.76 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 4.97 109.246 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.616 -0.513 . . . . 12.13 109.616 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -41.32 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 6.36 110.977 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -142.21 164.98 28.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 5.84 109.266 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.568 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -54.21 168.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 2.21 109.23 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.5 t -57.02 -78.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 1.83 109.251 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.494 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -146.17 151.93 38.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.77 110.02 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.457 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . 22.3 p -157.37 164.31 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.46 110.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.488 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.9 m -135.47 60.08 35.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 1.62 110.419 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.99 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.41 111.01 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 179.03 43.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 1.42 109.295 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.98 109.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.24 110.299 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.68 38.37 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.79 111.045 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 96.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 1.29 109.908 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -102.66 125.16 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.81 110.298 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.36 -45.97 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 1.26 110.974 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.03 162.22 15.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 2.27 109.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -87.59 140.79 31.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 2.97 109.351 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.92 150.2 38.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.48 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -43.93 91.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 2.24 109.292 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.88 147.78 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.75 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -86.31 140.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 1.5 109.307 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 mt-10 -110.4 146.98 34.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.95 110.328 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 11.4 mt -147.86 144.69 28.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 1.68 109.359 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.0 m-70 -136.41 155.74 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.69 109.584 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 52.8 m-85 -154.84 103.48 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 3.35 111.074 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.04 -6.7 35.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.71 110.025 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -95.03 -73.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 4.04 110.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' ' 29' ' ' LEU . 3.5 t-20 166.03 149.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 4.39 109.321 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 ' HG ' ' CE ' ' A' ' 66' ' ' MET . 2.4 tm? -99.15 -72.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 8.68 109.348 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 64.19 134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 4.81 109.207 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.404 ' CG2' ' O ' ' A' ' 31' ' ' THR . 10.1 t -90.64 73.31 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 5.13 110.369 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.51 -48.64 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 4.88 110.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -152.65 21.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 5.24 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 84' ' ' ARG . 30.7 t -97.1 164.9 12.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 1.71 110.051 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.26 161.89 12.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 1.29 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.27 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 1.72 109.26 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -155.18 128.67 8.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 3.13 109.294 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 81' ' ' VAL . 7.0 tp -96.52 131.91 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 1.74 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 m -127.54 134.24 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.76 109.279 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.55 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -87.54 90.68 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 2.65 110.959 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.66 60.0 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 2.12 110.357 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 133.22 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 2.75 109.241 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 tpt 56.55 97.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 4.52 110.963 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 86.6 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 4.92 110.971 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.13 50.27 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.482 1.113 . . . . 5.36 110.953 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 61.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 6.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.11 37.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 5.58 110.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 51.67 84.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 7.52 109.574 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -130.33 74.08 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 2.46 110.0 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.81 26.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 1.77 111.037 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -107.93 108.88 20.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 3.03 110.942 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.93 145.59 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 2.59 109.282 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.78 136.12 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.86 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -61.94 96.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 4.46 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -128.99 174.84 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.6 109.322 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.66 139.5 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.78 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG22 HD12 ' A' ' 68' ' ' ILE . 84.8 t -97.31 124.6 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 3.59 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -139.66 133.12 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.06 109.974 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.68 159.56 53.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 1.01 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.24 -119.0 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 2.02 111.044 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.69 -33.96 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.032 -0.827 . . . . 2.72 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.88 160.83 35.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.78 . . . . 2.26 109.25 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.76 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 1.5 110.99 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -85.15 -9.76 57.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 3.1 109.318 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.42 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.7 m -113.06 123.41 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 1.76 110.396 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 mpp? -106.88 150.89 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 2.15 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -144.7 114.94 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 2.72 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.442 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -86.53 118.73 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 1.7 109.342 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.01 111.11 37.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.89 110.419 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.92 18.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.94 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.6 -25.96 62.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 1.78 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 157.01 47.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.24 110.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 130.63 13.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.85 110.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.5 mt -76.56 116.13 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 1.76 109.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 p -85.18 170.83 12.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 1.61 110.367 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.516 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -52.6 178.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 1.6 109.351 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.99 -147.38 16.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.61 111.081 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.6 m -133.34 140.28 47.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 1.79 110.39 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.9 m-85 -139.97 160.83 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 3.42 110.985 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 115.64 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 3.47 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 38' ' ' LEU . 43.9 t -94.98 106.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 1.76 109.335 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 123.35 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.89 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.6 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 21.2 p-90 -120.41 157.71 28.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.73 108.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' O ' ' OG ' ' A' ' 34' ' ' SER . 13.0 mtp180 -148.25 122.01 9.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 5.77 110.287 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' CB ' ' CE2' ' A' ' 25' ' ' PHE . . . -111.37 151.19 28.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 1.8 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.1 t -149.96 106.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 3.68 109.259 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 3.94 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -56.55 12.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 4.7 109.995 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.62 99.71 3.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.175 . . . . 5.41 109.28 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -173.05 156.43 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 7.79 110.395 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.61 163.84 0.23 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 6.04 109.584 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.7 10.09 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 2.61 111.02 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 1' ' ' HIS . 7.6 mm -99.29 97.45 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 3.41 109.336 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.8 p -91.99 154.04 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 1.88 110.407 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -174.22 156.07 22.71 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.164 . . . . 0.68 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.82 158.67 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 1.13 109.953 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 71.9 t -135.4 101.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.84 109.287 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -86.82 143.13 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 1.88 110.366 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.0 p90 -152.93 158.16 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 3.06 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -109.61 164.86 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 4.92 109.32 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.516 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 68.1 t -142.65 122.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 1.67 109.31 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 3.47 109.275 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.469 ' HB3' ' CD ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.601 -0.518 . . . . 10.15 109.601 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 47.04 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.762 . . . . 6.63 110.949 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' CD ' ' HB3' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -152.1 126.42 9.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 4.97 109.293 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -66.65 175.09 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 1.72 109.314 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' N ' HD23 ' A' ' 4' ' ' LEU . 99.2 t -57.76 -81.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 1.74 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -141.22 145.49 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.68 110.047 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.427 ' CB ' HD23 ' A' ' 23' ' ' LEU . 51.5 p -156.21 163.43 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.39 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.5 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.4 m -138.84 59.54 16.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 1.99 110.359 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.09 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.43 110.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.29 44.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.52 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -45.43 105.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.07 110.237 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.39 35.73 2.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.78 111.031 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.55 98.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.77 . . . . 1.4 110.002 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.52 119.93 40.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.87 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.19 -55.32 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 1.15 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.07 173.37 5.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 1.85 109.315 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' HG11 ' A' ' 101' ' ' VAL . . . -68.63 128.57 92.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 2.16 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.8 36.43 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.397 1.735 . . . . 1.17 110.964 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 -64.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 2.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -153.82 156.32 37.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 3.63 109.33 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.02 140.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 1.51 109.275 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -116.87 147.68 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 2.29 110.347 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 HD11 HD11 ' A' ' 68' ' ' ILE . 11.5 mt -147.5 145.31 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 1.59 109.287 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -139.52 156.94 46.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.76 109.569 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 93.3 m-85 -154.57 115.09 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 3.8 111.017 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -11.44 60.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.62 110.023 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -113.39 147.1 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 4.24 110.287 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -40.26 135.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 5.44 109.301 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -119.34 72.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.067 . . . . 8.31 109.301 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -62.77 141.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 5.29 109.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 31' ' ' THR . 14.6 t -90.69 67.5 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 4.76 110.329 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 1.9 tp60 -108.32 -53.57 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 5.25 110.356 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CB ' HG22 ' A' ' 86' ' ' VAL . 27.0 m-85 -130.84 19.11 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 5.32 111.007 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 p -88.77 169.12 11.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 2.3 109.979 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.03 162.15 9.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.89 111.016 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.44 160.22 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 1.73 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.64 126.32 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 4.34 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.448 HD23 ' CD2' ' A' ' 74' ' ' LEU . 15.5 tp -93.47 141.43 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 1.7 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.419 ' CG2' ' HG2' ' A' ' 80' ' ' LYS . 5.7 m -135.88 137.11 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.64 109.247 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.55 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -90.85 96.96 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 2.76 110.957 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -108.12 59.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 1.92 110.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.33 -60.35 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 2.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.4 mtt -148.12 153.65 41.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 4.66 111.031 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 92.84 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 3.27 110.999 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.78 -63.65 3.4 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 4.31 110.995 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.88 99.93 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 6.25 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 40.08 67.62 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 6.07 110.327 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t60 49.14 80.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 6.42 109.554 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 80.31 17.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 2.49 109.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.68 24.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 1.46 111.037 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtt -133.77 134.71 43.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 3.47 111.055 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.55 148.18 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.66 109.258 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.16 169.42 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 1.97 109.297 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -94.73 113.78 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 4.06 109.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 70' ' ' PRO . . . -146.95 172.99 12.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.62 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.17 143.87 40.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 1.77 109.279 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 68' ' ' ILE . 12.5 m -107.71 125.8 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 2.84 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m -134.96 148.73 50.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.99 110.003 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.42 161.44 18.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.97 111.036 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -98.27 77.4 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 2.2 110.992 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.6 -61.43 0.46 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.996 -0.842 . . . . 3.3 110.996 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -78.6 141.97 61.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 2.54 109.271 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -1.87 11.81 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.527 1.804 . . . . 1.65 110.94 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -93.12 -30.65 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 2.6 109.26 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -90.16 130.3 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 1.95 110.421 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -127.39 148.83 50.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 2.09 111.05 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.15 120.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 3.22 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.464 HD11 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -91.46 127.29 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 1.8 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.07 99.21 13.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 1.95 110.356 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.413 ' HB3' ' CB ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.08 18.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.75 111.011 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.71 66.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 2.51 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.33 137.83 22.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.97 109.931 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.01 13.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 1.03 110.993 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' CD2' HD23 ' A' ' 38' ' ' LEU . 24.0 mt -74.9 117.62 16.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 2.03 109.289 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.407 ' O ' ' OH ' ' A' ' 79' ' ' TYR . 43.1 p -84.44 168.57 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.74 110.41 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -49.72 156.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 1.73 109.231 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.28 -154.19 20.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.59 110.996 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.4 m -130.99 135.97 48.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.724 . . . . 1.66 110.334 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.8 m-85 -141.03 163.2 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 3.55 111.029 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 47.3 pttt -136.36 119.6 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 4.62 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 t -90.68 105.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 1.76 109.346 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.58 111.16 22.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.62 109.336 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.646 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 28.1 p-90 -109.12 158.69 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.57 108.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -145.88 114.36 6.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 4.37 110.287 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' CB ' ' CE2' ' A' ' 25' ' ' PHE . . . -102.14 144.56 30.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 2.11 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.441 HG22 ' CB ' ' A' ' 33' ' ' PHE . 37.7 t -136.51 140.05 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 3.21 109.254 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -83.79 -60.42 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 3.78 110.022 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.96 -62.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 4.22 109.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' THR . 1.2 m-20 -109.51 -55.39 2.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 5.81 109.251 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' ASP . 6.4 t -38.72 153.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 7.48 110.338 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.651 ' HD1' ' HD2' ' A' ' 92' ' ' PRO . 2.6 m-70 -49.98 159.64 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 6.56 109.597 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.651 ' HD2' ' HD1' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.95 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 1.86 111.02 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.1 mp -122.28 100.87 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 3.39 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.9 p -85.73 140.21 30.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.94 110.4 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.01 162.0 29.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.52 110.955 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.38 144.48 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 1.01 110.004 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.44 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 41.2 t -128.12 106.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.135 . . . . 1.64 109.366 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 t -87.45 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.71 110.403 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.82 152.05 32.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 3.19 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -104.0 165.57 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 2.87 109.336 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.509 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 77.6 t -144.2 114.18 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.73 109.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 4.2 109.262 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.727 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 18.23 109.586 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.727 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 -79.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.43 1.753 . . . . 10.88 110.952 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -150.21 164.3 36.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 8.94 109.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -55.39 105.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 2.3 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 t -55.36 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 2.11 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 153.26 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.71 109.973 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 81.3 p -156.57 168.33 27.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.42 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.532 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 25.9 m -141.91 57.81 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 1.73 110.387 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -58.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.56 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' ' 99' ' ' PHE . . . 170.5 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.32 109.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.95 106.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 2.47 110.311 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.63 38.51 1.54 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.73 111.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.2 94.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 1.48 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.46 128.14 54.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.93 110.268 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.43 -43.34 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.46 110.953 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.7 161.56 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 2.14 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.06 139.23 49.29 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 2.51 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 1.57 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 -53.32 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 1.87 109.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -154.69 157.84 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 3.83 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.9 138.92 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 1.59 109.271 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.404 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -113.23 149.09 34.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 1.6 110.28 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 15.8 mt -148.43 143.71 26.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 1.77 109.385 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -136.09 149.26 48.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.68 109.601 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE1' ' HA ' ' A' ' 4' ' ' LEU . 8.1 m-85 -154.93 121.54 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 3.93 111.017 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -70.16 -8.17 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.65 109.947 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.86 43.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 4.43 110.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 9.7 t30 -40.48 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 4.88 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 38.94 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 7.05 109.287 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 31' ' ' THR . 45.0 t -62.81 -94.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 6.34 109.251 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.408 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 1.9 m 49.65 39.95 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 6.15 110.454 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' PHE . 1.9 tp60 -177.29 53.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 6.64 110.368 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLN . 44.1 m-85 36.98 61.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 7.56 111.035 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.7 t -102.63 152.32 21.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 2.06 110.014 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.57 -150.27 20.13 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.422 1.076 . . . . 1.77 110.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.29 173.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 2.18 109.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -155.23 131.6 10.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 3.61 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -96.39 138.48 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 2.27 109.291 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.0 m -136.01 142.7 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 1.61 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -91.96 96.46 10.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 2.54 110.988 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.3 t -117.98 59.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 1.96 110.441 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.18 -59.06 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.387 1.054 . . . . 2.02 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 148.46 42.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 5.34 111.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 66.6 6.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.441 1.758 . . . . 4.02 110.963 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.47 -62.88 1.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 5.26 110.96 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.5 mmm -126.72 88.84 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 7.44 111.056 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 43.16 76.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 5.97 110.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 44.61 75.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 6.87 109.597 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -118.45 95.55 48.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 2.69 109.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 140.92 25.88 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 1.81 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.08 127.64 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 3.57 110.957 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.31 140.76 58.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.083 . . . . 1.92 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -103.5 138.48 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 2.32 109.354 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.16 100.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 5.4 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.97 172.69 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 2.14 109.305 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.88 149.37 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 1.68 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.54 130.85 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 2.96 109.235 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -144.56 133.02 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.22 110.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.69 153.91 42.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.87 110.945 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.56 -151.33 11.35 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.069 -0.812 . . . . 1.81 111.069 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.75 -52.5 7.67 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.007 -0.837 . . . . 2.84 111.007 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.93 152.03 37.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 3.6 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -8.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.587 1.835 . . . . 2.17 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -13.69 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 2.77 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -107.21 124.92 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 2.06 110.395 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.18 147.19 27.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.85 111.074 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.8 t -141.86 114.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 2.7 109.38 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.48 122.77 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 1.73 109.32 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.25 111.13 23.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 1.98 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.68 111.015 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.43 -25.27 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 2.01 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.78 150.3 38.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.93 109.951 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 130.98 13.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.9 111.041 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.41 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.3 mt -76.63 115.36 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.612 1.195 . . . . 1.94 109.355 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -99.07 169.43 9.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 2.04 110.395 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -41.04 157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 1.74 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.21 -147.81 18.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.65 111.007 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 m -154.23 134.1 13.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 1.64 110.395 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -136.27 175.07 9.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 3.25 110.965 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.54 113.96 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 3.51 109.352 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.12 107.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 1.85 109.269 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.38 117.85 30.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 2.05 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.569 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 54.3 p-90 -112.34 154.55 25.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.92 107.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -146.12 126.21 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 4.26 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.79 96.97 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.73 109.313 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.0 t -88.14 134.35 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 4.46 109.241 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.478 ' HB3' ' CD2' ' A' ' 1' ' ' HIS . 1.4 m -155.54 166.31 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 4.2 109.997 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.72 105.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 4.29 109.975 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.5 170.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 7.81 109.311 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.7 p -60.25 -42.82 96.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 6.62 110.436 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -139.4 149.42 60.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 5.78 109.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.78 21.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 2.14 111.033 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.5 132.22 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 3.21 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -121.13 150.53 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 2.22 110.393 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -159.2 160.11 30.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.74 111.038 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.04 142.37 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.19 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 84.9 t -128.2 103.31 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 1.94 109.362 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -85.24 145.19 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 1.71 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -155.31 147.43 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 3.29 110.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -102.94 167.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 3.03 109.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 96.4 t -143.34 121.65 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 1.71 109.308 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 3.19 109.288 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.546 -0.538 . . . . 12.09 109.546 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -55.27 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.576 1.83 . . . . 7.4 111.026 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -136.25 152.14 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 5.63 109.343 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -53.64 175.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.88 109.33 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 t -51.8 -76.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 2.49 109.313 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -153.33 150.99 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.95 109.982 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.424 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 77.5 p -156.85 166.52 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.59 109.986 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 m -137.09 58.34 17.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 1.99 110.411 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.91 -74.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.37 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.35 43.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 1.77 109.331 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -41.58 107.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 2.26 110.272 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.28 34.17 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.525 1.141 . . . . 0.76 110.999 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.97 100.33 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 1.31 110.014 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -105.45 118.7 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.99 110.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.53 -50.13 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.25 111.024 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.94 173.76 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 0.808 . . . . 1.98 109.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.15 134.43 52.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 2.66 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 163.87 34.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 1.23 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.41 -51.58 35.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 1.86 109.294 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 149.02 25.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 3.89 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.83 142.22 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 1.59 109.349 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -114.66 149.22 37.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 2.48 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 13.0 mt -148.32 145.3 28.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 1.81 109.36 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -138.62 150.36 46.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 1.02 109.557 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 80.7 m-85 -154.93 123.06 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 4.3 110.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.78 7.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 2.79 110.02 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.82 28.16 8.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 5.73 110.335 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.76 96.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 5.53 109.352 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.914 HD13 ' HG ' ' A' ' 34' ' ' SER . 2.7 tm? -87.37 89.22 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 8.2 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.07 153.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 5.11 109.283 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 t -97.17 53.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 4.21 110.407 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 1.5 mm-40 -102.29 -44.19 5.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 5.29 110.336 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -136.73 14.23 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 6.26 111.033 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.914 ' HG ' HD13 ' A' ' 29' ' ' LEU . 44.3 t -89.14 157.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.96 110.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.97 -172.06 43.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 1.32 110.96 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HD12 ' A' ' 68' ' ' ILE . . . -153.87 149.56 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 2.48 109.335 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -154.41 111.5 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 4.24 109.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD22 ' CD2' ' A' ' 74' ' ' LEU . 10.0 tp -92.38 138.89 31.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 2.08 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.2 m -134.51 141.37 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 1.81 109.251 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.3 96.48 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 3.35 111.036 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -112.17 60.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 2.13 110.391 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -37.52 -56.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.52 109.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.16 114.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 7.62 110.96 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.43 35.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 5.01 111.013 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.09 -62.19 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.431 1.082 . . . . 5.26 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.83 87.99 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 9.11 110.958 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 39.6 78.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 13.67 110.254 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -171.38 81.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 13.76 109.615 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.5 p -86.42 154.68 56.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 4.1 109.977 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.87 6.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 2.4 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.1 mtp -124.12 155.97 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 4.91 110.95 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.53 152.53 22.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 2.02 109.273 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.66 162.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 1.87 109.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -87.3 105.1 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 4.71 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -139.25 169.22 18.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 1.84 109.276 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.02 138.48 43.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 1.74 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -102.19 123.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 3.01 109.288 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -123.06 175.34 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.12 109.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.16 151.39 20.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 1.09 111.043 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.07 62.06 4.5 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 2.07 110.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.33 -56.13 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 3.31 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.41 147.11 55.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 2.75 109.37 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.35 9.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.442 1.759 . . . . 1.57 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -90.99 -35.52 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 3.37 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -90.87 134.61 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 2.15 110.382 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.81 151.08 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 2.33 111.019 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.81 124.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 2.74 109.259 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HD12 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -94.08 120.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 1.82 109.35 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.8 95.54 39.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 1.7 110.45 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.8 19.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.85 110.963 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.02 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 1.87 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.39 138.17 22.5 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.26 110.051 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.84 12.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.529 1.805 . . . . 0.97 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -76.15 116.25 16.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 2.5 109.373 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -86.29 168.13 14.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 2.07 110.451 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.73 165.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.99 109.268 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.14 -148.49 17.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.94 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.419 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.1 m -137.15 131.52 32.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 0.716 . . . . 2.41 110.416 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.0 m-85 -134.58 171.43 14.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 3.3 110.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 120.5 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 3.13 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.5 t -95.92 119.04 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 1.97 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -101.63 117.58 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 2.3 109.302 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.577 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 49.0 p-90 -110.98 157.01 20.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 1.11 107.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.26 146.96 47.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 4.01 110.294 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.419 ' HB1' ' CG2' ' A' ' 93' ' ' ILE . . . -137.33 154.01 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 1.92 109.256 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.18 159.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 4.97 109.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.22 -51.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 4.32 110.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -151.79 -52.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 5.2 110.065 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 159.91 161.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 7.32 109.316 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.8 m 64.5 115.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 6.59 110.391 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.6 88.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 8.42 109.625 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 3.56 110.961 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' CG2' ' HB1' ' A' ' 85' ' ' ALA . 6.3 tp -103.75 134.09 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 4.39 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 p -118.43 148.11 42.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 2.14 110.398 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.23 154.77 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.397 1.061 . . . . 1.08 111.054 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.85 152.91 48.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 1.14 109.964 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 t -141.13 105.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 1.89 109.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 t -88.08 138.88 31.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 1.87 110.416 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -148.62 153.52 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 3.21 110.969 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.56 166.3 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 3.62 109.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 72.9 t -143.8 116.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 1.99 109.343 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 3.52 109.313 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.513 ' H2 ' ' HD1' ' A' ' 1' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.6 -0.519 . . . . 12.44 109.6 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 158.96 42.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 5.94 111.019 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 147.56 44.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 5.49 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.13 173.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 2.24 109.238 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' N ' HD21 ' A' ' 4' ' ' LEU . 92.8 t -59.32 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 1.88 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.71 148.12 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.63 109.998 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 37.4 p -157.22 163.76 38.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.5 110.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.491 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 23.6 m -136.88 59.9 26.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 2.04 110.369 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.97 -78.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.53 111.024 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 44.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 1.74 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.12 108.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.87 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.18 36.96 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 1.12 111.029 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.66 98.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 1.42 109.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.06 121.61 43.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.48 110.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.45 -56.5 0.31 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.112 . . . . 1.36 111.009 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.45 173.57 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 2.19 109.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 130.7 85.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 2.17 109.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 161.19 39.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.818 . . . . 1.31 110.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.76 -59.99 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 1.97 109.278 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -155.31 150.47 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 4.5 109.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.77 139.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 1.61 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.415 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.1 tt0 -113.68 147.17 38.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.5 110.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 68' ' ' ILE . 9.6 mt -146.99 141.65 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 2.05 109.245 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -133.43 157.24 46.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.67 109.567 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 6.4 m-85 -155.44 120.53 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 3.82 111.016 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.57 -4.63 35.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 1.63 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 175.77 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 4.59 110.294 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.535 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -121.74 -57.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 5.13 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 30' ' ' VAL . 0.8 OUTLIER 40.2 86.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 6.67 109.242 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG23 ' HG ' ' A' ' 34' ' ' SER . 45.8 t -47.55 -95.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 6.73 109.386 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 2.1 t 43.68 38.55 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.587 1.18 . . . . 5.68 110.43 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -150.15 -77.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 5.12 110.222 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 31.7 m-85 -166.23 28.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 5.47 111.059 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.486 ' HG ' HG23 ' A' ' 30' ' ' VAL . 1.1 t -87.23 153.4 21.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 1.48 109.944 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.42 -163.36 33.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 1.03 111.01 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.16 160.61 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 1.77 109.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 129.37 8.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.55 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 81' ' ' VAL . 15.8 tp -89.88 138.06 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 1.73 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.8 m -136.59 134.36 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 2.08 109.337 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.552 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.6 tmm? -86.14 92.4 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 3.98 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.552 HG21 ' HZ1' ' A' ' 80' ' ' LYS . 8.7 t -117.99 59.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 2.75 110.38 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.94 175.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 2.61 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 39.83 84.57 0.18 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 5.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 159.55 41.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 6.04 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.29 -54.52 3.58 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.14 . . . . 8.65 111.03 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 mmt -95.95 109.55 21.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 0.731 . . . . 11.87 111.046 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 65.56 76.78 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 10.71 110.35 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -87.5 84.59 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 7.66 109.618 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -115.92 91.32 30.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 3.9 109.958 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 108.49 2.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 2.14 111.035 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.7 116.28 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 3.36 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.82 48.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 2.15 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -118.56 148.91 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 2.02 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.97 105.05 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 5.34 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.63 174.14 10.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.81 109.296 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.94 139.16 45.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 2.25 109.247 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.67 123.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 3.68 109.342 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.41 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . 23.5 m -111.25 173.02 6.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 2.3 109.979 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.79 139.66 7.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 1.52 110.984 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -154.11 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.841 . . . . 2.32 110.999 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.87 -47.45 90.49 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.97 -0.852 . . . . 2.9 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.11 156.47 37.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 2.65 109.343 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.449 1.763 . . . . 2.11 110.976 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -85.34 -27.81 25.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 2.56 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 m -90.96 126.98 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 1.6 110.355 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -125.3 149.36 48.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 2.09 110.968 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 58' ' ' SER . 0.1 OUTLIER -142.33 113.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 3.0 109.285 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -84.68 120.56 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 1.96 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.72 101.92 12.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 2.16 110.385 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 136.29 20.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.72 110.986 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.79 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 2.16 109.269 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.07 144.13 27.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.32 109.957 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.48 10.76 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 1.39 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD2' HD23 ' A' ' 38' ' ' LEU . 26.7 mt -68.55 116.02 8.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 1.84 109.242 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -86.2 174.26 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 1.86 110.481 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.84 164.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 2.25 109.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.82 -151.84 17.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 1.08 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.5 m -146.46 132.26 19.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 1.97 110.387 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -136.2 170.4 16.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 3.76 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.552 ' HZ1' HG21 ' A' ' 41' ' ' THR . 2.1 pttt -139.72 120.59 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 5.39 109.283 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' CG2' HD11 ' A' ' 38' ' ' LEU . 3.4 t -86.57 109.63 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 2.41 109.35 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.53 122.07 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.65 109.268 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.601 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 39.1 p-90 -118.61 158.02 26.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.8 107.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -143.66 116.16 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 3.58 110.284 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.533 ' HB1' ' CZ ' ' A' ' 25' ' ' PHE . . . -105.17 147.84 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 1.83 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.1 t -146.15 116.38 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 3.32 109.264 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.3 m -64.82 -62.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 3.44 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.85 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 3.81 110.044 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 77.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 5.76 109.249 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.7 t -167.22 167.71 13.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 6.95 110.431 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.583 ' HD1' ' H ' ' A' ' 91' ' ' HIS . 2.4 p-80 -43.88 151.3 0.52 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 7.38 109.611 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 146.15 32.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 2.75 110.978 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.6 75.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 3.71 109.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.0 p -85.32 142.66 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 1.75 110.377 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -167.35 149.91 15.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.95 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.91 152.49 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 0.812 . . . . 1.84 110.006 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.5 t -122.85 112.08 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.76 109.296 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 t -89.82 136.76 32.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 1.86 110.363 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.9 p90 -147.76 154.62 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 3.1 111.027 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' CD ' ' OG1' ' A' ' 78' ' ' THR . 10.1 mttt -105.99 166.08 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 4.63 109.242 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 17' ' ' ALA . 56.7 t -147.8 113.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 1.86 109.302 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 4.03 109.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.466 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 1.5 p-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.582 -0.525 . . . . 16.86 109.582 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.434 ' O ' HD11 ' A' ' 93' ' ' ILE . 18.2 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.544 1.813 . . . . 10.5 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -149.97 160.16 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 6.19 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' CB ' ' CH2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -66.9 106.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 2.32 109.322 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.2 t -51.57 -69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 1.79 109.295 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -153.77 156.07 37.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.04 110.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 77.6 p -156.72 169.04 25.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.55 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -137.51 57.09 13.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 2.02 110.393 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -74.97 -67.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.51 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.72 44.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 1.44 109.252 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.54 104.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 2.87 110.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.79 35.04 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.575 1.172 . . . . 0.92 111.07 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 100.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 1.66 109.993 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -111.26 117.31 32.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.83 110.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.59 -39.66 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 1.19 111.061 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.36 161.79 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 2.1 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.01 137.98 53.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.77 109.308 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 135.68 19.55 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 1.58 111.027 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.81 -47.98 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 2.53 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.84 156.46 40.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 3.91 109.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -93.04 145.08 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 1.54 109.218 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -112.91 151.69 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 2.84 110.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.675 HD12 HD11 ' A' ' 68' ' ' ILE . 16.9 mt -147.32 144.2 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 2.05 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 59.7 m-70 -133.89 157.48 45.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.31 109.58 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' CD2' ' A' ' 1' ' ' HIS . 36.1 m-85 -155.46 104.86 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 3.55 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.71 -18.02 63.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 2.22 109.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -138.12 101.17 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 4.41 110.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.504 ' ND2' ' H ' ' A' ' 30' ' ' VAL . 41.1 t30 -159.47 -63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 3.7 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pt? 41.29 29.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 9.21 109.322 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 2.7 t -122.4 138.01 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 5.31 109.244 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -39.3 -71.24 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 7.41 110.455 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.42 ' N ' HG21 ' A' ' 31' ' ' THR . 0.3 OUTLIER 167.56 94.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 12.78 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -104.38 15.97 27.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 10.39 110.972 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 85' ' ' ALA . 7.3 p -129.07 175.76 8.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 2.3 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.37 -169.12 18.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 1.08 111.017 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.36 174.87 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 2.15 109.341 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mtpt -155.87 132.18 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 4.78 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 81' ' ' VAL . 9.3 tp -99.8 140.93 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 1.92 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.0 132.53 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 2.14 109.311 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.47 97.37 10.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 3.15 110.973 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.5 t -102.67 59.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 2.59 110.398 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.86 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.13 109.281 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.8 mtp -116.69 153.82 49.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 6.18 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.814 . . . . 4.82 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.32 -72.15 2.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 4.57 110.995 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.56 89.88 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 5.39 110.979 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 39.74 70.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 6.62 110.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.2 m80 53.55 87.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 8.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.08 79.86 34.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.74 110.01 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.3 25.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 2.13 111.006 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.7 mmt -131.14 151.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 4.55 111.027 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.71 140.6 29.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 2.27 109.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG12 ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.6 158.2 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 2.03 109.27 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -91.09 128.88 37.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 7.42 109.276 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.82 173.83 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 1.97 109.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.84 148.17 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 1.98 109.326 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 m -113.51 121.14 65.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 2.74 109.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -119.9 175.37 5.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.22 110.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.9 150.06 20.04 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 1.17 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.73 -160.73 7.87 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 2.11 111.038 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.74 -27.03 54.94 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.837 . . . . 2.64 111.006 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -115.07 148.2 40.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 2.64 109.291 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -1.37 11.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 1.47 110.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -20.63 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 4.04 109.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -107.24 124.28 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 2.06 110.375 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.473 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.47 155.99 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 2.02 110.993 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.36 122.7 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 2.85 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.675 HD11 HD12 ' A' ' 23' ' ' LEU . 1.1 mp -93.1 124.89 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 1.7 109.26 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.7 OUTLIER -127.96 101.22 23.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 1.98 110.381 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 135.16 18.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.92 110.967 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.56 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.84 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -76.75 144.51 73.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 2.04 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.563 1.823 . . . . 1.95 110.978 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.35 116.59 22.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 1.78 109.31 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.7 p -100.75 167.96 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.6 110.401 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -44.13 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 1.82 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.88 -152.32 16.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.398 1.061 . . . . 0.57 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.487 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.3 m -135.46 134.82 39.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 0.783 . . . . 1.69 110.359 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -138.77 158.69 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 3.15 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.451 ' HE3' ' CB ' ' A' ' 96' ' ' SER . 1.6 tttp -134.3 111.61 10.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 3.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.441 HG22 ' CD1' ' A' ' 38' ' ' LEU . 29.5 t -85.69 111.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 1.89 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.58 117.26 33.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.4 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.583 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 36.8 p-90 -104.7 141.03 37.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.79 108.04 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -117.44 110.45 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 4.16 110.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.435 ' HB2' ' NE2' ' A' ' 1' ' ' HIS . . . -94.52 86.09 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 2.64 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 p -86.46 136.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 5.14 109.24 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.406 ' HG ' ' H1 ' ' A' ' 1' ' ' HIS . 5.3 p 177.34 161.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 4.82 110.006 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.37 -171.0 0.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 6.14 109.989 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -80.8 103.45 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 7.4 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p 44.18 -161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 7.88 110.411 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 3.4 t-160 45.04 64.18 8.04 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 6.06 109.564 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HD3' ' N ' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.96 -172.56 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 2.45 110.947 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.434 HD11 ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER -139.56 114.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 4.9 109.242 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 77.0 p -115.38 167.63 10.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 2.31 110.411 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.585 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.3 174.44 29.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.83 111.027 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.451 ' CB ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -146.18 144.72 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 0.711 . . . . 1.62 109.994 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.494 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -133.44 101.32 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 1.79 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 t -84.75 142.07 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.88 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 26.5 p90 -158.17 146.55 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 3.08 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -97.18 171.09 8.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 3.12 109.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 32.0 t -142.51 124.95 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 1.84 109.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 3.26 109.292 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.793 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.59 -0.522 . . . . 13.16 109.59 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.793 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.97 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.808 . . . . 10.5 110.992 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.13 158.86 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 9.32 109.272 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 1.1 tm? -54.64 105.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 2.52 109.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' N ' HD21 ' A' ' 4' ' ' LEU . 53.6 t -55.52 -66.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.13 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -155.81 150.67 26.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 1.09 109.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.448 ' CB ' HD23 ' A' ' 23' ' ' LEU . 62.4 p -156.96 166.01 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.71 109.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.502 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 m -137.64 59.33 19.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.98 110.457 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.05 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.73 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 47.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.53 109.248 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.37 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.53 34.32 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 1.01 110.961 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m -69.71 98.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 1.27 110.026 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 28.7 mt-10 -109.04 122.51 47.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 1.89 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.85 -46.4 0.62 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 1.41 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.56 162.32 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 1.82 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.52 137.32 36.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 2.23 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.458 1.767 . . . . 1.61 111.016 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.92 -50.28 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 2.27 109.276 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 157.63 37.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 4.36 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.75 139.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.43 109.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -109.29 147.7 32.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 2.75 110.296 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 15.4 mt -147.55 141.05 25.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.97 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -133.45 150.93 51.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.23 109.607 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 4' ' ' LEU . 14.1 m-85 -155.53 128.04 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 3.67 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -15.14 62.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 1.73 110.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 174.04 83.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 5.27 110.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 3.4 p-10 -100.68 -41.25 6.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 5.27 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 36.84 72.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 6.62 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 34' ' ' SER . 27.9 t -40.4 -91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 6.75 109.278 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.426 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 12.4 t 38.06 30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 6.24 110.442 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -158.08 52.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 5.85 110.312 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 43.67 60.66 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 6.69 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.471 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 32.8 t -117.36 168.87 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 2.15 110.028 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.0 -144.1 11.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 2.02 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -154.97 172.95 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 2.17 109.369 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -155.48 128.62 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 4.83 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 7.3 tp -90.23 141.89 28.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 1.7 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.51 133.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 1.78 109.319 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.8 ttm -91.72 97.9 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 3.85 111.032 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -113.83 59.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 1.78 110.411 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.14 136.61 35.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 3.08 109.286 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 31.4 ttm 65.37 136.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 6.26 111.015 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 76.29 3.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 3.85 110.973 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.28 -62.13 4.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 4.03 110.951 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.8 mmm -133.86 175.12 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 7.94 111.077 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.67 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 7.91 110.315 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' MET . 28.0 m-70 49.34 84.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 7.45 109.554 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.68 76.26 74.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 2.8 109.953 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 2.29 110.965 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.3 mtp -110.86 108.95 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 3.15 110.998 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 138.91 45.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 1.81 109.256 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 4.4 p -106.09 168.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.82 109.339 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -91.83 93.34 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 5.27 109.288 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.89 175.32 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 1.97 109.332 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.31 154.62 46.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 1.82 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.9 127.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 2.91 109.272 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -140.56 130.96 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.26 110.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.35 165.36 54.82 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.541 1.15 . . . . 1.19 111.009 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.32 52.23 0.79 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.942 -0.863 . . . . 2.96 110.942 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.17 -62.6 0.44 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.836 . . . . 2.5 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.33 154.99 37.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.79 . . . . 2.55 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.33 9.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.44 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -84.86 -39.65 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 3.43 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -100.16 129.25 46.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 2.13 110.423 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.493 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.83 154.27 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.65 111.037 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -146.15 119.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 2.99 109.28 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -93.18 122.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 1.51 109.368 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.31 110.07 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 1.61 110.415 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 135.46 19.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.69 111.077 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.86 -20.7 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.69 109.349 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 152.58 42.23 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.1 . . . . 0.89 109.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.61 16.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 1.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.9 116.16 22.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 2.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 p -101.83 166.44 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.99 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.483 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -40.64 154.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 1.78 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.93 -155.55 22.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 1.02 110.985 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -141.33 130.08 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 1.96 110.456 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -134.27 175.11 9.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.394 1.059 . . . . 3.03 110.952 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.24 115.62 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 3.69 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.6 t -85.16 106.67 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 1.92 109.362 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -93.95 110.08 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 2.37 109.228 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.6 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 50.2 p-90 -105.76 154.22 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.045 -1.095 . . . . 0.9 108.045 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -147.66 131.62 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 4.17 110.363 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.7 128.51 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 1.95 109.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 t -125.86 126.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 4.0 109.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 25.8 t -115.84 -55.48 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 3.72 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -168.44 168.11 11.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 4.67 109.948 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 71.83 168.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 6.62 109.279 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.5 p -97.26 56.39 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.367 1.042 . . . . 8.32 110.383 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -167.63 67.63 0.84 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 5.95 109.565 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -165.6 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.584 1.834 . . . . 2.24 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 93' ' ' ILE . 5.8 mm -120.47 143.16 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 4.85 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 p -118.81 168.83 10.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 2.1 110.439 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -168.89 160.58 34.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.421 1.075 . . . . 0.85 111.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.77 140.77 22.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 1.22 110.018 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 20.2 t -128.12 103.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 1.79 109.351 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -84.45 141.43 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 1.97 110.379 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -152.83 149.02 27.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 3.28 111.044 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.446 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.4 mtpt -104.19 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 3.89 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 73.0 t -144.29 122.09 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.65 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 3.37 109.302 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.75 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.603 -0.517 . . . . 10.68 109.603 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.75 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.1 Cg_endo -74.97 -88.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.436 1.756 . . . . 5.52 111.028 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -149.5 147.71 28.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 6.52 109.351 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.21 174.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 1.78 109.281 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.433 ' N ' HD22 ' A' ' 4' ' ' LEU . 65.1 t -58.95 -80.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 2.09 109.318 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.448 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.33 149.9 38.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.85 110.012 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.454 ' CB ' HD22 ' A' ' 23' ' ' LEU . 62.3 p -156.24 165.08 37.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.53 110.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.518 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m -137.87 58.58 16.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 2.18 110.374 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.91 -63.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.53 111.083 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 167.65 46.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.63 109.3 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.72 110.99 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 3.23 110.294 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 35.24 3.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.84 111.001 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.69 93.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 1.48 110.031 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.39 122.84 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 2.1 110.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.92 -47.16 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 1.22 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.03 166.4 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 2.07 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' CB ' HG11 ' A' ' 101' ' ' VAL . . . -72.93 137.72 79.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 2.12 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.92 29.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 1.45 110.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -53.46 55.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 1.69 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.32 146.7 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 3.95 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.3 143.2 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.82 109.318 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.3 tt0 -117.33 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 1.59 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 7' ' ' SER . 13.5 mt -147.47 145.08 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.53 109.361 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.9 m-70 -137.23 158.84 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.71 109.55 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 29.8 m-85 -155.0 108.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 3.51 110.999 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.5 t -70.98 -7.9 49.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.88 110.003 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 3.5 mt-10 -108.94 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 4.19 110.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.51 ' OD1' ' CG2' ' A' ' 30' ' ' VAL . 5.9 t-20 160.6 154.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 4.09 109.251 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -104.9 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 7.56 109.238 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' CG2' ' OD1' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 56.13 163.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 4.98 109.343 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.462 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 9.8 t -115.42 60.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 4.29 110.458 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.53 -66.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 5.2 110.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -139.25 58.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 5.97 110.998 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 t -126.27 150.84 48.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.58 109.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.86 167.52 31.32 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.468 1.105 . . . . 1.1 111.05 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' HD12 ' A' ' 68' ' ' ILE . . . -135.99 153.43 51.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 1.6 109.314 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -151.71 124.18 8.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 4.72 109.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD22 ' CD2' ' A' ' 74' ' ' LEU . 10.9 tp -96.42 129.52 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 2.29 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.79 136.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 1.95 109.305 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.0 ttm -86.64 96.38 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 3.16 110.929 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.6 t -103.83 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 2.2 110.461 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.35 -57.55 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 2.01 109.314 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -133.08 164.76 41.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 5.68 111.023 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 4.64 111.003 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.99 -60.27 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 5.73 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.12 85.32 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.49 0.759 . . . . 6.12 110.947 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.22 66.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 6.04 110.27 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t60 63.92 79.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 6.28 109.628 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.94 80.28 7.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 2.89 110.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.521 1.8 . . . . 2.27 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -112.8 126.98 56.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 3.09 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 148.78 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.95 109.242 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.53 123.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 2.16 109.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -56.44 104.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 4.21 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.27 169.62 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 1.54 109.236 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.41 143.24 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 1.77 109.29 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -99.09 127.24 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 3.17 109.339 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -140.95 135.36 31.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.14 109.976 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -70.66 166.46 51.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 1.16 110.943 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.51 -114.06 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.939 -0.865 . . . . 2.29 110.939 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.17 24.41 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 3.12 110.963 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.25 155.61 2.27 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.444 0.732 . . . . 2.6 109.317 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.87 17.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 1.67 111.014 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HA ' ' CD1' ' A' ' 29' ' ' LEU . 9.4 pttm -95.29 -18.46 20.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 3.72 109.236 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.456 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.1 m -108.79 120.87 43.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 1.81 110.405 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.471 ' HE2' ' CA ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -105.52 159.85 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 2.74 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -149.87 120.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 2.95 109.271 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.41 HD12 ' HB2' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -94.31 120.0 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 1.67 109.218 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.87 110.79 33.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.545 1.153 . . . . 1.58 110.387 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.32 18.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.59 110.976 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.69 -23.61 61.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.94 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.4 148.35 38.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.85 109.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 128.54 11.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.81 110.946 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.5 mt -77.18 115.57 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 1.73 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -90.72 173.59 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 2.03 110.408 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.91 163.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 1.76 109.33 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -154.58 16.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.75 110.938 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.585 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.6 m -127.91 143.49 51.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 1.94 110.404 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.0 m-85 -143.52 156.73 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 3.3 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.79 117.37 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 4.17 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.427 ' CG2' ' CD1' ' A' ' 38' ' ' LEU . 52.1 t -97.24 101.07 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 1.71 109.275 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -88.19 126.64 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.69 109.253 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.598 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 20.5 p-90 -123.9 157.37 34.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.56 108.064 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 4.1 mtm105 -146.38 126.68 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 4.92 110.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.4 165.62 12.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.81 109.274 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.436 ' CG1' HG12 ' A' ' 30' ' ' VAL . 7.3 p -135.6 146.39 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 4.03 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -91.76 -53.49 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 3.86 110.033 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -145.43 -59.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 3.74 110.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -158.88 -48.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 7.33 109.269 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.57 64.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 5.23 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.92 68.23 2.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 7.98 109.635 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.36 3.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 3.26 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.06 96.88 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 3.72 109.336 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.8 p -88.55 152.67 21.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 2.32 110.397 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -177.25 160.09 26.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.71 111.026 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.5 156.3 41.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.804 . . . . 0.88 109.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 57.4 t -131.68 102.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.01 109.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.472 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.9 t -85.81 142.26 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 1.69 110.383 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -152.16 153.77 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 3.14 110.98 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -107.78 161.68 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 3.33 109.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' A' ' 17' ' ' ALA . 47.8 t -135.23 121.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 1.77 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 3.59 109.296 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.607 -0.516 . . . . 10.34 109.607 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.01 0.45 8.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 5.61 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 155.29 34.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 5.66 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.02 160.1 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 1.77 109.34 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.425 ' N ' HD23 ' A' ' 4' ' ' LEU . 92.5 t -57.69 -83.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.94 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -134.45 149.55 50.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.448 1.093 . . . . 0.56 109.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' CB ' HD21 ' A' ' 23' ' ' LEU . 77.9 p -157.34 165.45 35.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.44 109.96 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.509 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.8 m -138.22 59.21 17.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 1.57 110.384 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.07 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.43 110.96 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -177.5 44.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 1.86 109.271 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.51 107.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 3.63 110.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.94 36.16 1.79 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.427 1.079 . . . . 0.87 111.012 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.52 96.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 1.36 110.017 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.64 124.88 52.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 2.24 110.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.52 -43.01 1.04 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.448 1.093 . . . . 1.41 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.14 161.59 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 2.37 109.351 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' N ' HG11 ' A' ' 101' ' ' VAL . . . -83.76 136.25 42.11 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 2.5 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.55 40.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 1.3 111.025 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.13 25.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.69 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -155.2 153.35 30.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 3.27 109.258 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -85.15 142.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 1.84 109.262 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -117.21 150.62 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.74 110.257 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 11.4 mt -147.59 143.55 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 1.68 109.266 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -133.45 156.02 48.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.98 109.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 5.7 m-85 -153.53 118.79 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 3.94 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -4.74 36.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.67 109.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.5 90.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 4.78 110.365 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.554 ' HB2' ' CD1' ' A' ' 25' ' ' PHE . 1.5 t30 -138.91 -53.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 5.26 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 28' ' ' ASN . 1.1 pt? 43.46 88.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 6.81 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 34' ' ' SER . 75.6 t -46.19 -93.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 7.05 109.286 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' VAL . 10.6 t 38.62 32.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 5.56 110.379 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 30' ' ' VAL . 1.2 mp0 -138.29 -83.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 5.53 110.33 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -161.04 28.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 5.2 111.018 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.428 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -84.49 150.85 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.63 110.026 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.17 -171.27 41.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.78 110.986 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 68' ' ' ILE . . . -150.69 162.04 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 1.74 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -155.29 128.71 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 3.09 109.343 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.6 tp -98.75 143.09 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 1.9 109.315 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.2 138.09 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 2.06 109.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.567 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.37 96.95 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 3.36 111.019 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.4 t -111.06 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 2.14 110.369 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.63 -54.05 5.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 2.09 109.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.78 108.82 59.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 5.63 111.045 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.78 11.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 4.65 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.58 62.0 4.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 5.62 111.033 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -149.17 63.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 5.83 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 41.77 28.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 5.93 110.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' MET . 7.4 m80 54.91 83.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 6.61 109.513 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.18 78.15 73.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 2.44 109.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 142.24 27.37 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.508 1.793 . . . . 1.77 110.985 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.73 107.47 18.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 3.82 111.005 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.78 143.84 24.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 1.87 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.72 150.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 2.06 109.321 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 93.59 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 5.54 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -135.02 174.4 10.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 1.69 109.295 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.66 138.53 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 1.75 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.92 130.43 45.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 3.01 109.218 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 m -119.7 175.27 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.66 109.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 138.89 8.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.168 . . . . 1.68 110.971 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.44 -150.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.993 -0.843 . . . . 2.89 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.0 96.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.996 -0.842 . . . . 2.81 110.996 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -107.63 160.62 26.03 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 4.69 109.307 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.49 10.03 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.48 1.779 . . . . 2.95 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -84.88 -32.9 22.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 3.27 109.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -91.2 119.37 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.87 110.375 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.484 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.9 mpp? -113.16 152.76 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 2.76 110.946 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.36 109.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 3.07 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.409 HD12 ' HB1' ' A' ' 36' ' ' ALA . 1.1 mp -85.11 123.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 1.5 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.65 105.94 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 1.81 110.415 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.39 19.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.58 111.068 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.55 87.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.85 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.4 150.02 38.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.24 109.968 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 128.12 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 1.18 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -70.47 116.83 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 1.84 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -88.89 174.3 8.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 2.03 110.416 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.506 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -52.8 178.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.79 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.05 -147.71 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.9 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.575 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 97.2 m -140.86 143.36 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.737 . . . . 1.88 110.354 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' ' C ' ' A' ' 78' ' ' THR . 2.4 m-85 -144.98 161.79 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 3.16 110.887 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.45 114.25 10.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 2.7 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.0 t -85.48 152.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 2.11 109.268 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -135.09 123.52 23.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.93 109.371 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.602 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 44.3 p-90 -117.37 157.42 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.66 107.977 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? -145.75 116.17 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.96 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.91 142.69 32.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 1.84 109.268 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.74 106.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 3.36 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.9 p -55.38 179.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 4.15 109.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -93.02 44.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 5.04 109.994 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.411 ' OD1' ' C ' ' A' ' 89' ' ' ASP . 16.2 t0 -153.26 -72.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 5.31 109.314 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' PRO . 10.1 t -174.45 -43.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 5.35 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.3 99.68 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 6.67 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.04 157.17 42.77 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 2.78 110.951 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.49 HD13 HG22 ' A' ' 93' ' ' ILE . 35.1 mm -137.15 129.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 3.48 109.255 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.9 p -130.45 147.65 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 1.72 110.466 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 159.75 32.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.72 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.06 154.3 49.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 1.08 109.969 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -131.66 111.0 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 2.1 109.228 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -90.28 142.86 27.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 1.61 110.415 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.7 p90 -157.57 148.63 21.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 3.32 111.052 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt -107.47 168.89 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 3.55 109.277 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.506 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 57.8 t -143.8 127.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 1.88 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 3.19 109.326 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.615 -0.513 . . . . 9.88 109.615 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 6.47 111.057 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -149.7 125.35 10.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 5.52 109.304 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.42 173.22 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.8 109.299 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -56.56 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 1.88 109.316 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.4 m -143.63 149.88 37.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.53 110.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.417 ' CB ' HD22 ' A' ' 23' ' ' LEU . 59.8 p -157.56 166.32 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.36 110.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m -136.74 58.19 18.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 2.13 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.528 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -73.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.64 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 171.42 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 1.43 109.277 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.06 109.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 2.64 110.297 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.34 56.28 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.33 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.49 129.27 54.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 2.69 109.959 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -101.39 137.19 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 4.21 110.358 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -156.39 -117.63 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 2.85 110.975 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.19 84.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 4.52 109.303 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 65.51 90.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 3.58 109.315 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.445 ' HD2' ' CD1' ' A' ' 74' ' ' LEU . 18.4 Cg_endo -74.92 -172.09 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 2.47 111.001 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.72 -71.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 1.77 109.333 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 152.27 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 3.45 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -85.08 145.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 1.7 109.294 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.01 148.13 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.93 110.252 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 10.6 mt -148.9 147.09 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.471 1.107 . . . . 1.49 109.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.44 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 50.6 m-70 -138.62 152.51 48.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.63 109.606 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 74.0 m-85 -150.56 96.13 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 3.53 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -70.19 -6.8 37.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.27 110.012 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.78 89.97 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 4.14 110.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.547 ' ND2' ' H ' ' A' ' 30' ' ' VAL . 9.3 t30 -156.31 -77.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 3.9 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 41.16 38.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 8.26 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.547 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 2.6 t -141.36 133.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 5.62 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.2 t -115.63 54.69 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 4.24 110.408 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -99.75 -77.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 4.85 110.363 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 5.9 m-85 -116.9 56.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 5.38 111.019 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.4 p -120.84 116.87 26.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 2.82 109.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.53 -174.17 38.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 1.03 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HB3' HD12 ' A' ' 68' ' ' ILE . . . -153.75 164.03 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 1.75 109.263 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 123.98 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 3.69 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 74' ' ' LEU . 8.4 tp -86.98 140.49 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 1.98 109.256 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.23 132.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.51 1.131 . . . . 1.79 109.324 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -84.76 94.35 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 4.66 110.992 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -119.51 59.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 2.53 110.373 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HA ' ' CB ' ' A' ' 78' ' ' THR . . . -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.65 109.335 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.4 ptm -39.88 157.68 0.15 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.065 . . . . 5.73 110.961 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.93 38.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 4.36 111.009 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.6 -60.69 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 5.51 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.94 91.51 3.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 9.38 110.993 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 67.18 78.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 11.82 110.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -85.47 73.92 10.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 6.73 109.611 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 m -139.52 130.62 14.67 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 3.0 110.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 2.36 111.01 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 mtp -96.16 106.94 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 2.83 110.955 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.51 142.19 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 2.1 109.269 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.444 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.8 p -108.04 167.4 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 2.05 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -86.35 81.9 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 4.81 109.356 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -122.13 174.78 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 1.59 109.281 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.11 143.0 26.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 1.88 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HD12 ' A' ' 68' ' ' ILE . 33.4 m -100.61 130.08 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.01 109.299 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -140.06 133.53 30.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.19 110.022 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.88 158.01 50.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 1.08 111.002 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.29 -125.36 1.04 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.933 -0.867 . . . . 2.15 110.933 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.2 33.82 4.9 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.856 . . . . 3.43 110.959 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -179.24 151.4 0.64 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 2.52 109.269 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 1.77 110.977 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.26 -12.62 32.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 2.64 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -110.15 125.1 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 1.78 110.437 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.481 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.9 149.77 28.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 2.09 110.946 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.0 t -144.82 115.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 2.86 109.299 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.568 HD12 HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.13 119.78 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 1.63 109.31 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.77 101.15 20.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 1.71 110.399 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 137.21 21.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.69 110.98 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.55 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 1.7 109.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.85 142.47 25.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.611 1.194 . . . . 0.82 110.002 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 134.95 18.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.761 . . . . 1.08 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' CD2' HD22 ' A' ' 38' ' ' LEU . 24.5 mt -66.95 116.13 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 2.41 109.348 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ALA . 45.5 p -87.56 160.26 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 2.19 110.404 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -40.57 140.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 2.24 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.57 -154.66 22.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.77 111.004 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.551 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -135.8 143.06 45.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 2.06 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 m-85 -143.35 175.22 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 3.36 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 125.69 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 3.22 109.244 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.32 113.16 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 1.86 109.3 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.76 113.03 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.79 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.582 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 51.9 p-90 -108.51 161.12 15.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 0.55 107.981 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' NH2' ' HG2' ' A' ' 92' ' ' PRO . 6.1 mtp-105 -148.43 118.65 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 7.04 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.554 ' HB1' ' CE1' ' A' ' 25' ' ' PHE . . . -100.33 162.09 13.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.9 109.308 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 33' ' ' PHE . 8.3 p -129.7 153.01 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 4.55 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.9 t -124.35 -61.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 3.81 110.021 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 3.48 109.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.466 ' O ' ' CG2' ' A' ' 90' ' ' THR . 0.3 OUTLIER 59.8 -177.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 6.11 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.466 ' CG2' ' O ' ' A' ' 89' ' ' ASP . 12.7 t 47.76 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 4.81 110.446 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -79.37 149.0 71.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 10.35 109.582 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.408 ' HG2' ' NH2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 3.6 111.016 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.444 HD12 ' HB3' ' A' ' 85' ' ' ALA . 46.4 pt -97.14 121.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 4.44 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.3 p -93.08 150.85 20.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 1.82 110.394 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.532 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -154.71 155.5 26.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.5 1.125 . . . . 0.59 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.35 147.51 39.92 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 0.744 . . . . 1.0 110.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.3 t -136.59 103.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.68 109.28 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.1 t -86.44 137.21 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 1.81 110.329 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 19.7 p90 -144.76 157.22 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 3.36 110.976 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -103.65 164.85 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 4.09 109.34 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 5.0 t -148.11 115.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 2.23 109.248 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 3.68 109.316 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.564 -0.532 . . . . 12.48 109.564 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.0 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 5.96 111.007 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' CG ' HD12 ' A' ' 4' ' ' LEU . 8.2 ttmt -149.87 150.31 31.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 7.12 109.307 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.07 171.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 2.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.459 ' N ' HD21 ' A' ' 4' ' ' LEU . 79.3 t -54.21 -79.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.593 1.183 . . . . 2.22 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' N ' HD21 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -148.55 144.75 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.8 110.005 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.4 p -155.92 165.37 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.39 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 56.4 m -137.18 57.83 16.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 1.78 110.367 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.98 -62.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.45 110.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . 171.43 47.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 1.83 109.247 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -42.17 107.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 2.12 110.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.59 37.28 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.78 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.15 100.55 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 1.29 109.998 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.85 119.95 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 2.29 110.222 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.34 -49.72 0.4 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.413 1.071 . . . . 1.37 111.026 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.46 172.58 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 1.94 109.265 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.02 134.98 42.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 2.4 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.71 12.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 1.27 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.15 -53.91 11.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 1.71 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 151.24 29.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 3.13 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.76 139.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 1.5 109.29 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 tt0 -110.9 148.13 33.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.86 110.337 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' CD1' HD11 ' A' ' 68' ' ' ILE . 12.9 mt -147.21 143.12 27.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.486 1.116 . . . . 1.55 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.563 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 53.8 m-70 -140.26 158.68 43.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 1.05 109.567 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 17.2 m-85 -155.24 110.57 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 3.49 111.06 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -69.44 -8.13 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 2.02 109.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.04 145.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 6.46 110.275 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -42.73 131.0 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 5.5 109.27 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.445 ' CD2' ' CE ' ' A' ' 66' ' ' MET . 15.5 tp -119.18 84.28 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 8.44 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 31' ' ' THR . 0.9 OUTLIER -71.13 162.21 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 5.19 109.327 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 31' ' ' THR . 10.5 t -100.22 56.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.603 1.19 . . . . 4.62 110.349 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -98.93 -44.1 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 5.92 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.453 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 40.9 m-85 -149.59 21.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 5.31 111.058 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 t -92.81 145.45 24.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.75 110.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.59 -173.84 45.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.99 111.0 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.29 153.9 31.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 1.91 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -152.31 124.15 7.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 3.81 109.264 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tp -95.33 129.9 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 1.66 109.303 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.58 138.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 2.08 109.278 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.7 tmm? -93.0 95.58 9.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 3.33 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.5 t -115.05 73.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 2.05 110.41 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -39.97 -55.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 2.53 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.34 116.48 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 7.34 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 124.78 8.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 5.15 110.99 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.03 -55.15 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 5.29 110.994 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 81.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 9.67 111.063 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 42.29 81.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 13.26 110.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 89.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 13.2 109.59 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.45 160.29 48.33 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 4.16 110.04 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.04 7.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 2.09 111.079 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtt -124.83 151.94 44.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.178 . . . . 4.11 110.936 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.33 151.4 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 2.26 109.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 p -105.41 165.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 1.96 109.277 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -88.51 100.74 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 4.85 109.233 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.5 172.2 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 2.13 109.327 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.03 141.58 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 1.69 109.342 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.0 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 3.05 109.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.482 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 1.4 m -131.59 138.34 48.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.09 109.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.42 163.09 23.8 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.56 1.163 . . . . 0.97 111.001 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.96 71.36 0.29 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.939 -0.864 . . . . 1.93 110.939 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 -65.76 1.18 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.958 -0.857 . . . . 3.56 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -74.23 139.84 75.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 2.24 109.283 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.22 12.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 1.63 111.032 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.55 -15.52 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 3.58 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -107.58 133.68 51.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 2.17 110.413 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.445 ' CE ' ' CD2' ' A' ' 29' ' ' LEU . 1.9 mpp? -133.32 147.64 51.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.77 110.977 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -146.33 117.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 3.02 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.419 HD11 ' CD1' ' A' ' 23' ' ' LEU . 1.2 mp -86.22 126.93 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.77 109.265 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.68 111.61 19.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 1.74 110.424 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.67 18.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.53 1.805 . . . . 0.89 111.074 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.64 -21.67 59.32 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.549 1.155 . . . . 1.88 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.25 156.88 45.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 1.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.32 12.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.789 . . . . 1.0 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.5 mt -76.18 115.96 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 1.68 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 p -85.3 163.34 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 2.38 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.58 172.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.88 109.33 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.01 -153.15 17.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.8 111.012 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 69.5 m -131.27 140.17 49.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 1.72 110.4 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.1 m-85 -139.98 168.55 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 3.36 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.459 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -140.64 122.49 15.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 3.66 109.35 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -98.48 101.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 1.69 109.283 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.1 120.25 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 1.89 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.646 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 22.0 p-90 -116.93 159.09 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.58 108.072 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -145.24 144.41 30.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 4.11 110.37 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.477 ' CB ' ' CG2' ' A' ' 93' ' ' ILE . . . -124.65 155.29 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 1.98 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.453 ' CG2' ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -107.16 174.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 4.21 109.321 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.51 ' HG ' ' C ' ' A' ' 90' ' ' THR . 86.9 p -125.84 -173.84 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 5.29 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -54.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 4.71 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.67 -68.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 6.81 109.341 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.51 ' C ' ' HG ' ' A' ' 87' ' ' SER . 11.3 t -171.59 179.49 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 5.22 110.415 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.84 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 5.54 109.648 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 2.36 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.477 ' CG2' ' CB ' ' A' ' 85' ' ' ALA . 14.7 tt -137.71 137.36 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 4.61 109.256 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.4 p -122.85 138.24 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 1.98 110.441 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.499 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.38 163.12 31.87 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.8 111.021 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.86 156.8 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 1.36 109.983 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 9' ' ' PRO . 21.4 t -131.44 110.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 1.69 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.459 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 14.0 t -88.7 141.32 28.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 1.86 110.399 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.1 p90 -151.01 149.93 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 3.23 110.964 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -102.76 166.27 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 6.23 109.218 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 95.7 t -144.94 112.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 1.82 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 3.68 109.311 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.638 -0.504 . . . . 12.82 109.638 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.4 31.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 5.23 111.009 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -131.96 165.28 24.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 5.88 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.31 174.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 2.06 109.302 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.43 -78.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 2.09 109.284 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.82 149.86 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.71 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.402 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 55.4 p -157.38 163.26 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.44 109.967 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.3 m -136.93 58.67 19.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 1.63 110.347 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -73.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.578 1.83 . . . . 0.54 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.12 46.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 1.51 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 1.9 mt-10 -45.08 108.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 2.73 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.98 38.46 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.72 111.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.48 94.5 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.56 0.8 . . . . 1.38 110.001 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.96 124.58 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.38 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.15 -56.98 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 1.18 111.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.63 172.86 12.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 1.9 109.25 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -75.74 135.22 71.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 2.23 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 162.57 36.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 1.19 110.931 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.49 5.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 1.84 109.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 151.63 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 3.17 109.331 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.97 133.07 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 1.68 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -107.52 147.76 30.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 4.67 110.34 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HD11 ' A' ' 68' ' ' ILE . 13.2 mt -147.31 143.88 28.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 1.73 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -135.55 156.04 49.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.488 1.118 . . . . 0.72 109.585 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.552 ' CE2' HD23 ' A' ' 29' ' ' LEU . 38.3 m-85 -154.97 93.51 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 3.31 110.986 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -7.66 42.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 2.13 109.983 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -105.02 34.83 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 4.46 110.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 1.7 t-20 61.44 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 4.84 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.552 HD23 ' CE2' ' A' ' 25' ' ' PHE . 1.3 tm? -131.34 104.17 6.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 8.07 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.73 156.86 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 4.72 109.326 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.4 t -106.26 61.92 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 5.09 110.423 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -103.12 -44.69 5.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 5.04 110.339 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' ' OD1' ' A' ' 89' ' ' ASP . 45.8 m-85 -144.72 16.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 5.41 111.002 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -89.52 162.68 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 1.6 109.99 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.67 -175.72 40.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 1.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.89 159.8 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 1.89 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -154.87 124.77 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 3.1 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 81' ' ' VAL . 12.3 tp -94.33 138.16 32.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 1.8 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -138.07 137.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 1.73 109.243 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.0 ttt -93.81 97.98 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 3.42 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.88 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 1.69 110.382 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 2.09 109.286 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 37.1 mtt -127.79 138.77 33.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 4.77 110.984 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 3.5 110.972 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.32 -62.58 5.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 4.7 111.02 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 mmt -133.96 91.91 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 5.23 110.975 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.1 79.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 6.29 110.243 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 47.58 89.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 6.62 109.549 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 78.78 23.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 2.54 109.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.61 24.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 1.43 111.035 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mmt -113.79 121.74 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 3.12 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.53 149.18 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 1.84 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.92 146.23 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 1.79 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.8 120.16 15.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 5.33 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.04 175.24 10.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 1.76 109.331 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.87 141.16 49.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 2.1 109.225 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -119.1 123.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.09 109.333 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.4 m -140.35 175.73 9.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.77 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.77 153.1 16.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.87 111.018 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -124.34 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.98 -0.848 . . . . 1.93 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.85 30.63 8.18 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.983 -0.847 . . . . 3.11 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.44 154.64 0.75 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 2.63 109.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -6.5 18.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.455 1.766 . . . . 1.43 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -11.79 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 3.84 109.234 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.3 m -114.78 120.09 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 1.62 110.395 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.478 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.99 161.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.84 110.997 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 66' ' ' MET . 95.8 t -155.59 117.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 2.68 109.331 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.5 HD11 HD13 ' A' ' 23' ' ' LEU . 1.4 mp -95.86 132.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 1.75 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.9 109.2 9.94 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 1.52 110.427 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 134.62 18.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.5 111.074 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.41 -26.9 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.87 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.42 146.44 32.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.81 109.94 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.52 11.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.87 110.956 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 27.4 mt -77.07 116.13 17.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.77 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.2 p -89.6 174.92 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 2.03 110.442 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -45.73 167.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.68 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 -154.48 16.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.61 111.066 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 m -138.69 137.52 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.616 0.833 . . . . 2.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.9 m-85 -136.82 163.76 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 3.25 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 113.54 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 2.75 109.329 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.462 ' CG2' HD11 ' A' ' 38' ' ' LEU . 33.9 t -91.83 104.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 1.99 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 124.1 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 1.88 109.186 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.576 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 23.4 p-90 -117.94 159.84 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.7 108.029 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -146.16 120.15 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 3.52 110.287 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . . . -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 1.72 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 t -144.57 85.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 3.26 109.37 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -41.13 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 3.98 109.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 5.3 t -147.34 -60.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 4.09 109.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.452 ' OD1' ' CD1' ' A' ' 33' ' ' PHE . 2.9 m-20 160.54 -32.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 8.33 109.344 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.8 m -52.26 -55.99 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.72 110.44 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.19 96.66 48.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 6.87 109.601 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.22 37.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 3.06 111.059 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.466 HG23 HD13 ' A' ' 93' ' ' ILE . 8.9 mm -134.35 128.96 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 3.68 109.302 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.4 p -125.56 138.17 53.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 1.97 110.336 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.559 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -164.62 163.15 36.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.66 110.933 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -141.65 166.02 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.758 . . . . 1.56 110.036 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 65.2 t -136.88 111.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.93 109.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 t -93.37 139.75 30.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 1.68 110.402 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -143.24 153.94 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 3.29 110.978 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -110.36 157.53 19.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 3.27 109.253 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 98.2 t -138.35 117.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 1.98 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 4.37 109.253 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.791 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.54 -0.541 . . . . 10.35 109.54 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.791 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.5 Cg_endo -74.99 58.18 4.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 6.15 111.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -146.56 137.24 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 4.7 109.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.559 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -53.91 174.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 1.7 109.292 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.424 ' N ' HD23 ' A' ' 4' ' ' LEU . 64.8 t -57.73 -81.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 1.91 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.441 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -140.17 146.62 39.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.66 110.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' CB ' HD22 ' A' ' 23' ' ' LEU . 68.1 p -156.31 166.07 34.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.42 109.944 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 93.5 m -136.98 58.82 19.54 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 1.82 110.401 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.01 -65.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.457 1.767 . . . . 0.44 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 163.22 45.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.4 109.248 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.82 107.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 2.25 110.305 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.25 51.27 2.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.99 111.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.49 116.49 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 1.96 109.981 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -105.23 124.22 49.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.78 110.347 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.19 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 1.63 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.39 -165.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 2.67 109.231 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' N ' HG11 ' A' ' 101' ' ' VAL . . . -52.79 107.94 0.97 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.464 1.103 . . . . 3.7 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 2.45 111.046 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.09 -72.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 1.93 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 159.35 39.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 1.09 . . . . 3.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.465 HG12 ' CA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 1.88 109.251 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -112.75 149.89 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.44 110.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD22 ' CB ' ' A' ' 7' ' ' SER . 16.7 mt -147.23 142.66 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.75 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 56.2 m-70 -137.53 159.78 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.91 109.556 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 51.3 m-85 -155.95 141.0 17.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 3.26 111.01 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -82.44 -27.41 31.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.71 110.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -159.24 131.38 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 4.55 110.34 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LEU . 6.0 t30 -157.39 -74.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 3.77 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.6 OUTLIER 36.4 69.18 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 7.95 109.248 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 3.5 t -162.33 144.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 5.84 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.2 t -134.26 48.11 2.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.58 1.175 . . . . 4.35 110.402 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -99.23 -62.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 6.43 110.279 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -134.31 64.64 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 5.43 111.025 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.1 p -125.88 120.87 31.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 3.05 109.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.74 -178.09 48.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.8 110.95 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -151.88 168.8 23.97 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.545 0.791 . . . . 1.95 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -155.06 127.77 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 2.9 109.275 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 6.3 tp -96.03 142.55 28.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 1.93 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -139.03 132.95 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 1.98 109.292 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.9 ttt -85.89 97.36 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 3.12 111.055 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -108.68 59.59 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 1.82 110.43 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.72 132.46 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.07 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.9 ttm 49.4 99.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 6.65 110.969 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 103.09 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 2.87 111.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.7 -52.29 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.612 1.195 . . . . 3.61 111.009 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 75.15 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 5.42 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 40.35 59.76 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 6.01 110.286 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 47.37 90.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 7.23 109.546 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -113.83 92.3 24.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 2.52 109.973 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 135.7 19.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.445 1.761 . . . . 1.51 111.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.5 mtm -110.75 109.74 20.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 4.55 111.018 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.45 130.15 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.85 109.25 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -96.54 157.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.94 109.274 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -82.35 98.05 8.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 6.09 109.262 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -138.42 175.2 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 1.52 109.299 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.2 140.69 24.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 1.78 109.327 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.3 128.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 3.16 109.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -132.62 126.96 33.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.36 109.984 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.444 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -65.44 163.47 39.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 1.21 111.035 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.3 49.68 0.84 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.039 -0.824 . . . . 2.66 111.039 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.13 -65.04 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.961 -0.856 . . . . 2.73 110.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.06 160.66 28.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 3.28 109.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -7.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.572 1.827 . . . . 1.53 110.961 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -30.38 21.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 3.17 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 ' CE1' ' A' ' 24' ' ' HIS . 1.9 m -100.8 129.91 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 1.79 110.44 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.444 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 1.2 mpp? -120.42 160.83 22.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.88 110.944 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.4 t -153.63 115.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 2.71 109.293 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.5 123.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 1.79 109.302 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.35 110.88 17.93 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 1.63 110.371 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 135.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.66 110.973 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -22.94 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 1.71 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.7 152.4 51.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 1.25 110.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 134.46 17.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 1.32 110.953 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.8 mt -70.98 116.98 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 2.16 109.265 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -84.79 158.29 20.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 1.72 110.404 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -43.72 143.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 1.75 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.86 -155.13 24.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.455 1.097 . . . . 0.65 111.025 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.451 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 47.5 m -132.45 136.84 46.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 1.52 110.449 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.2 m-85 -136.73 162.52 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 3.37 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.46 117.48 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.85 109.369 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.0 t -93.9 99.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.67 109.31 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.65 109.01 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 1.87 109.269 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.611 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 46.8 p-90 -107.26 161.15 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.61 108.033 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -147.38 118.13 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 5.14 110.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.88 156.74 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 1.92 109.236 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 30' ' ' VAL . 10.8 p -103.1 171.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 4.94 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.8 t -127.65 -59.64 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 4.27 109.995 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -176.69 -60.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 3.51 109.947 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -139.08 -54.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 5.01 109.259 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -49.48 160.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 5.22 110.387 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -40.62 139.56 1.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 7.72 109.671 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 161.36 38.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 3.01 110.986 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm -88.54 136.55 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 3.91 109.295 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.8 p -110.04 148.95 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 1.99 110.459 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.39 158.96 29.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.5 110.982 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.82 154.29 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.8 109.97 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 9' ' ' PRO . 14.6 t -140.01 101.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 1.8 109.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 6.2 t -85.98 134.55 33.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 1.63 110.383 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.8 p90 -140.95 149.5 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 3.2 111.005 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -103.95 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 2.84 109.307 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 72.1 t -141.07 112.51 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 1.78 109.289 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 3.26 109.307 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.496 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.608 -0.516 . . . . 9.82 109.608 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.496 ' HD2' ' CG ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.08 148.98 35.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 5.07 110.993 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.51 164.88 20.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 4.61 109.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.01 169.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 1.96 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.431 ' N ' HD22 ' A' ' 4' ' ' LEU . 91.5 t -59.43 -83.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 1.73 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -142.73 146.91 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.55 110.084 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 p -156.52 163.81 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.36 109.998 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -136.73 59.36 23.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 1.8 110.385 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.99 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.412 1.743 . . . . 0.45 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 99' ' ' PHE . . . 170.29 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.118 . . . . 1.65 109.351 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.12 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 2.97 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.78 36.59 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.7 111.032 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.82 93.83 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.34 110.037 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.54 125.09 50.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.97 110.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -49.7 0.59 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.567 1.167 . . . . 1.35 110.976 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 168.18 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 2.14 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -86.04 136.87 35.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 2.32 109.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 -168.06 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 1.57 110.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.37 -52.08 5.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 1.65 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 157.58 37.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 3.52 109.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.94 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 1.5 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.55 147.13 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 1.66 110.366 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 13.0 mt -146.97 144.41 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 1.85 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.1 m-70 -140.23 143.87 36.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.63 109.641 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -147.31 130.07 16.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 3.4 111.025 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 27' ' ' GLU . 51.8 p -69.92 -7.6 41.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 3.49 109.975 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 165.46 79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 6.52 110.288 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.582 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.8 p-10 -93.15 -42.93 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 5.26 109.289 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' N ' ' ND2' ' A' ' 28' ' ' ASN . 19.3 tp 38.68 83.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 7.38 109.356 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 29' ' ' LEU . 74.8 t -52.01 -100.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 6.66 109.254 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.402 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 8.8 t 43.53 35.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 6.52 110.379 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -158.32 48.25 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 5.92 110.338 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 45.37 59.22 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 6.81 111.052 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.31 167.93 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 2.18 109.983 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.67 -163.65 31.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 1.09 111.054 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.453 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -141.44 169.7 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 1.96 109.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.38 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 6.18 109.273 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 tp -93.01 134.2 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.86 109.291 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.31 135.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 1.8 109.282 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.476 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.2 tmm? -87.08 94.01 9.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 2.83 111.025 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -117.85 59.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 2.13 110.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.11 -59.92 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 2.51 109.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.43 142.18 29.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 6.65 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.22 5.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.439 1.757 . . . . 3.62 110.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.3 -68.13 0.69 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.441 1.088 . . . . 4.81 110.993 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.59 89.7 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 0.72 . . . . 6.04 111.001 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 38.39 73.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 6.88 110.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 54.9 83.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 6.66 109.581 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.72 92.85 45.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 2.39 109.985 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 144.04 30.14 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.46 1.769 . . . . 1.64 111.002 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmt -117.46 126.21 52.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 4.34 111.029 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.37 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 1.56 109.324 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.4 p -107.29 169.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 1.87 109.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.21 96.56 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 5.72 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.13 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 1.79 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 1.84 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -108.34 124.65 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 2.93 109.224 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 m -138.32 132.44 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.17 110.003 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.92 156.67 49.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.88 111.0 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 47.62 3.64 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.002 -0.839 . . . . 2.31 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.39 -61.47 0.41 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.041 -0.824 . . . . 2.98 111.041 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.89 154.6 37.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 3.03 109.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.09 9.53 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 1.9 110.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -25.75 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 3.39 109.35 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -114.4 132.39 56.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 1.88 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.489 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.19 146.36 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 2.01 111.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.27 113.13 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 2.68 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -90.09 121.96 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 1.55 109.266 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.6 107.83 23.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 1.62 110.372 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 136.3 20.13 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.548 1.815 . . . . 0.61 110.992 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.49 72.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 1.67 109.352 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.89 149.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.89 109.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.85 110.938 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -75.76 117.27 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 2.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.0 p -96.96 162.81 13.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 1.69 110.402 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.49 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -41.21 156.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 1.96 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.08 -149.78 19.84 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.566 1.166 . . . . 0.63 110.983 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.426 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.3 m -147.57 132.46 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 0.824 . . . . 1.66 110.388 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.1 m-85 -137.61 175.3 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 3.44 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.43 115.59 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.63 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.411 HG23 ' CD1' ' A' ' 21' ' ' ILE . 47.9 t -84.85 111.52 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.75 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.58 113.58 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.84 109.314 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.658 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 36.6 p-90 -110.24 157.48 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.63 107.996 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' HG2' ' CG2' ' A' ' 94' ' ' THR . 2.3 mpt_? -149.47 115.17 5.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 5.35 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 157.3 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 1.82 109.304 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 32' ' ' GLN . 7.1 p -134.94 108.62 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 3.77 109.397 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -97.88 90.0 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 3.88 110.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.1 m 57.65 161.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 3.9 110.045 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.42 102.5 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 6.91 109.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 91' ' ' HIS . 2.7 t -164.84 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 6.39 110.367 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 90' ' ' THR . 1.8 p-80 -176.51 130.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 8.22 109.638 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.34 43.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.517 1.798 . . . . 2.16 111.013 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.415 HD13 ' N ' ' A' ' 93' ' ' ILE . 1.1 mp -130.8 117.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 3.63 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.407 ' CG2' ' HG2' ' A' ' 84' ' ' ARG . 20.0 p -112.91 137.92 50.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 2.18 110.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -142.06 160.71 27.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.7 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.88 155.16 49.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.82 110.018 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -139.71 104.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.79 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.0 t -85.01 140.71 30.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 1.63 110.422 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 2.9 p90 -150.43 149.68 30.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 3.24 111.04 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -108.53 160.88 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 3.27 109.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.49 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 75.0 t -140.19 120.25 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 1.84 109.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.83 109.345 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.697 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.578 -0.527 . . . . 9.35 109.578 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.697 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.08 75.44 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 7.57 110.968 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.38 127.95 11.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 6.14 109.215 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -87.89 169.64 11.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 1.77 109.245 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.469 ' C ' HD22 ' A' ' 4' ' ' LEU . 93.2 t -57.68 -85.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 1.76 109.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.519 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -136.46 148.33 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.54 110.007 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.417 ' CB ' HD22 ' A' ' 23' ' ' LEU . 66.7 p -157.16 165.55 35.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.32 110.027 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.522 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.5 m -138.52 58.45 14.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 1.93 110.377 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.39 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . -177.26 45.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 1.43 109.372 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.4 107.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 2.38 110.273 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.06 37.35 2.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.72 111.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.08 93.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 0.722 . . . . 1.38 109.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.38 120.09 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.25 110.312 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.94 -47.8 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 1.28 111.01 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.88 166.08 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 2.04 109.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' CB ' HG11 ' A' ' 101' ' ' VAL . . . -71.72 136.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 2.11 109.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 148.14 34.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 1.39 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -57.03 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 1.93 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 149.37 26.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 4.63 109.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -86.07 139.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.47 109.344 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.76 151.0 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.85 110.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 11.4 mt -147.87 146.15 28.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.578 1.174 . . . . 1.43 109.281 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' SER . 44.9 m-70 -136.71 160.27 39.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 1.32 109.618 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 50.0 m-85 -154.42 117.5 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 3.4 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.8 t -70.04 -7.19 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 2.04 109.965 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.56 96.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 4.37 110.315 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 29' ' ' LEU . 9.9 t30 -128.24 -81.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 4.05 109.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER 39.96 70.21 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 7.41 109.339 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 t -155.79 147.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 5.58 109.344 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -137.42 34.76 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 4.28 110.388 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -84.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 4.81 110.251 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.12 66.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 5.32 111.039 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -132.51 140.51 48.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 2.67 110.048 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.35 -154.45 16.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 1.16 111.011 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.24 157.75 37.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 2.16 109.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.41 114.31 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 5.18 109.36 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 74' ' ' LEU . 28.9 tp -87.28 131.86 34.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 2.17 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.0 m -134.2 132.96 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 1.59 109.33 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.48 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 10.6 ttt -91.36 96.59 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 2.92 111.07 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 13.1 t -106.59 60.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.76 110.469 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' MET . . . -46.65 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 2.03 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -36.05 151.31 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 6.23 111.027 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.76 25.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 3.91 110.92 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.51 -45.51 0.04 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 4.26 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.89 59.95 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 8.16 111.002 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER 38.87 54.29 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 6.11 110.302 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 52.6 p-80 46.14 88.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 8.28 109.626 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.69 75.57 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 2.8 109.992 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.45 38.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 1.78 111.039 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.92 140.52 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 3.73 111.003 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.66 143.03 35.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 1.65 109.358 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.1 p -113.58 164.52 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 2.33 109.296 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.56 129.7 34.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 4.44 109.336 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.76 174.89 13.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 1.71 109.376 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.84 146.2 49.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 2.06 109.226 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.7 m -113.26 119.69 61.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 3.09 109.27 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 m -114.83 175.35 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.6 110.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.23 146.98 18.0 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.412 1.07 . . . . 1.34 111.025 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.4 61.08 4.47 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 2.44 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.79 -55.18 3.0 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.006 -0.838 . . . . 3.34 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -88.82 148.94 42.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 3.09 109.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 2.65 110.974 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -84.97 -36.98 20.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.79 109.241 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -98.47 112.98 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 1.87 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.04 150.21 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 2.46 111.038 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.98 114.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 3.09 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 mp -89.29 129.63 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.67 109.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.77 108.52 7.1 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 1.98 110.37 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 134.72 18.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.63 111.045 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.75 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 1.98 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 148.47 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.81 109.988 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.542 1.811 . . . . 0.79 111.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 38' ' ' LEU . 60.4 mt -80.21 116.86 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 1.81 109.318 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -93.36 173.16 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.61 110.399 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -49.97 167.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.543 1.152 . . . . 1.85 109.328 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.24 -150.38 17.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.6 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -139.84 132.51 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 1.91 110.394 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.9 m-85 -134.0 171.54 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 3.43 111.022 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.5 111.88 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 3.7 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' CG2' HD11 ' A' ' 38' ' ' LEU . 44.2 t -85.08 116.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 1.67 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -98.4 115.12 27.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 1.91 109.344 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.574 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 51.9 p-90 -110.08 157.85 18.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.959 -1.126 . . . . 0.59 107.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.06 128.88 19.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 3.61 110.244 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 86' ' ' VAL . . . -121.65 168.38 11.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.79 109.278 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 85' ' ' ALA . 74.5 t -154.24 128.86 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 3.77 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.59 168.1 15.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 3.97 109.973 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -84.48 66.07 9.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 6.57 109.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -174.31 -71.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 6.05 109.285 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.3 t -173.91 -171.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 5.47 110.376 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 66.29 106.73 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 5.3 109.654 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 157.14 42.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.454 1.765 . . . . 2.27 110.898 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 94' ' ' THR . 2.6 mp -134.01 137.96 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 3.65 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 93' ' ' ILE . 54.7 p -123.1 172.12 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.92 110.452 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -174.55 159.26 28.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.17 . . . . 0.61 110.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.77 155.01 44.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.83 110.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.9 t -142.05 107.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 1.81 109.264 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 t -90.04 137.75 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 1.68 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -149.14 146.46 27.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 3.11 111.039 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -102.22 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 3.58 109.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.452 HG11 ' CB ' ' A' ' 17' ' ' ALA . 62.0 t -138.7 119.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 1.6 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 3.21 109.349 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.843 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.602 -0.518 . . . . 10.07 109.602 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.843 ' HD3' ' H3 ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -75.03 -166.85 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.758 . . . . 7.17 111.045 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 124.98 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 6.7 109.308 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -69.91 109.89 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 3.45 109.336 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.438 ' N ' HD23 ' A' ' 4' ' ' LEU . 82.7 t -48.83 -70.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 2.11 109.285 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -156.27 150.12 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.76 110.008 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.7 p -157.52 167.22 30.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.64 109.977 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 m -140.95 56.67 6.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 1.95 110.408 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.02 -72.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.4 111.045 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . . . -176.48 43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 1.41 109.295 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -37.56 101.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 2.45 110.338 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.03 36.91 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.8 110.993 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.87 100.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 1.35 110.043 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -105.57 120.36 41.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 1.82 110.323 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.04 -44.37 0.58 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.578 1.174 . . . . 1.25 110.994 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.98 167.29 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 0.817 . . . . 2.58 109.301 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 136.4 56.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 2.47 109.286 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 144.62 30.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 1.54 110.994 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -53.1 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 1.85 109.347 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 151.49 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 4.01 109.336 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -84.59 144.49 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 1.57 109.312 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.4 mt-10 -120.13 150.49 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.56 110.283 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 13.3 mt -148.22 143.64 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 1.74 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 71.0 m-70 -135.99 155.1 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.84 109.564 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 12.8 m-85 -154.83 105.09 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 4.23 111.025 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.75 -8.32 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.7 110.008 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -87.92 -72.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 5.13 110.322 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 173.17 124.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 5.7 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.21 52.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 9.74 109.34 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -53.32 151.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.092 . . . . 4.61 109.325 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -96.62 60.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 4.92 110.328 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.0 tp-100 -98.48 -57.38 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 5.19 110.288 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.458 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 47.0 m-85 -138.7 27.2 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 4.61 110.96 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 m -85.44 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 3.03 109.975 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.46 154.98 13.97 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 1.37 111.01 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.66 163.01 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 1.83 109.335 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -155.17 120.53 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 3.43 109.309 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD21 ' CD2' ' A' ' 74' ' ' LEU . 8.1 tp -90.6 135.19 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.75 109.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.1 m -129.51 131.69 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 1.89 109.292 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.548 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.16 96.08 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 2.7 111.036 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.9 t -107.08 59.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 2.15 110.37 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -53.8 41.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 2.3 109.29 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.34 157.71 52.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 4.7 111.018 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -166.83 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 3.89 111.023 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.12 -53.87 0.16 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.434 1.084 . . . . 4.05 111.029 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.3 mmt -127.67 78.88 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 0.764 . . . . 5.62 111.041 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.29 74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 7.55 110.354 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 57.56 90.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 6.97 109.619 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -125.19 76.14 67.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 2.36 110.059 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.68 39.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.452 1.764 . . . . 1.5 110.975 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 mmm -110.13 118.87 37.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 3.51 111.021 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.75 149.57 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 2.07 109.276 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.61 174.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.99 109.322 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.13 116.84 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 6.51 109.249 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.26 173.1 13.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 1.68 109.319 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.4 148.11 39.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 1.98 109.246 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.29 125.54 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 3.17 109.263 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -136.61 131.15 33.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.02 110.031 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.31 161.32 52.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 1.07 111.05 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.08 47.43 1.81 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.976 -0.849 . . . . 2.36 110.976 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.45 -41.21 2.88 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 2.96 110.98 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -98.87 144.85 28.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 2.97 109.276 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 1.46 110.974 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -101.17 -19.94 15.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 3.53 109.318 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -106.65 111.77 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 1.91 110.439 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.417 ' N ' ' HE2' ' A' ' 66' ' ' MET . 0.0 OUTLIER -101.98 151.99 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 2.5 110.98 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -144.89 115.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 2.8 109.304 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -88.41 124.5 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.64 109.241 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.92 109.09 18.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 1.84 110.395 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 135.52 19.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.567 1.825 . . . . 0.69 110.998 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -29.37 65.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.95 109.274 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.51 151.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.93 110.045 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 138.81 23.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 1.02 110.999 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 61.2 mt -89.58 118.19 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 1.7 109.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -93.62 170.51 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.76 110.456 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.484 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -48.87 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 1.94 109.28 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.03 -153.44 17.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.83 111.018 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 31.6 m -131.17 137.57 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 1.94 110.393 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.594 ' HB2' ' CE1' ' A' ' 99' ' ' PHE . 6.0 m-85 -141.55 171.04 14.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 3.55 110.966 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.48 113.91 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.79 109.245 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 21' ' ' ILE . 71.7 t -87.96 104.86 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 1.76 109.288 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 109.37 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.34 109.28 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.647 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 21.6 p-90 -103.83 155.67 18.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.79 107.994 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.78 103.33 3.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 3.25 110.319 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.533 ' O ' HD13 ' A' ' 93' ' ' ILE . . . -88.38 151.21 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 2.34 109.329 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 33' ' ' PHE . 76.7 t -146.16 114.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 3.86 109.273 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.56 -69.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 4.22 110.028 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -174.23 -51.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 3.58 110.04 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.85 161.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 6.54 109.369 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.7 m -62.67 164.3 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 5.02 110.464 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 67.87 118.52 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 5.63 109.598 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.48 12.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 2.26 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.533 HD13 ' O ' ' A' ' 85' ' ' ALA . 2.5 mt -114.64 84.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 4.81 109.359 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.3 p -84.67 143.32 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 1.94 110.445 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -165.24 157.59 30.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.79 110.933 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.62 145.66 27.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 1.1 110.015 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 21.8 t -127.85 111.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 1.85 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.6 t -86.62 141.42 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 1.7 110.43 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' HB2' ' A' ' 79' ' ' TYR . 28.8 p90 -151.75 154.11 35.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 3.29 111.057 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -104.17 163.03 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 4.17 109.294 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 57.4 t -139.05 120.71 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 1.96 109.235 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 4.28 109.323 179.951 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.546 -0.538 . . . . 10.95 109.546 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 6.6 111.005 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -143.28 161.17 39.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 6.75 109.292 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.01 174.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 1.87 109.296 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.0 t -53.88 -76.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 1.83 109.301 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.8 m -152.07 151.44 31.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.57 110.01 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.415 ' CB ' HD23 ' A' ' 23' ' ' LEU . 58.6 p -157.55 164.11 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.36 110.003 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 8' ' ' THR . 1.4 m -137.3 59.86 23.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.81 110.407 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.98 -75.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.473 1.775 . . . . 0.55 110.936 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.41 46.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 1.85 109.379 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.14 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.94 110.338 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.78 37.96 7.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.78 110.981 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -71.68 95.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.92 110.01 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -107.62 128.36 54.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 1.94 110.293 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.7 -45.81 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.41 111.025 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.66 166.53 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.83 109.253 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.43 136.09 56.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 2.3 109.268 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 150.08 38.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.732 . . . . 1.25 111.018 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.46 -55.1 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 1.85 109.34 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.67 148.67 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 5.32 109.276 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.544 HD11 HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -84.89 144.66 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.66 109.313 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tt0 -117.13 149.0 41.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 1.78 110.29 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 12.7 mt -147.53 144.06 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.72 109.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -136.37 147.46 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.62 109.596 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.483 ' CB ' ' HB2' ' A' ' 28' ' ' ASN . 44.9 m-85 -155.31 116.23 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 4.23 111.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -71.77 -5.6 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.78 109.966 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -164.03 65.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 5.11 110.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.483 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -88.8 -65.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 4.77 109.309 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 39.82 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 7.34 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 31' ' ' THR . 70.7 t -58.26 -98.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 6.21 109.247 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 11.9 t 40.21 36.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 6.42 110.438 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -146.21 -82.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 5.66 110.319 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 30.3 m-85 -164.92 29.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 4.96 110.963 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.3 149.14 26.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.66 109.965 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.34 171.33 35.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.88 111.034 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.95 164.83 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 1.87 109.306 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.66 128.71 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 4.06 109.313 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.473 ' CD2' HD22 ' A' ' 74' ' ' LEU . 9.9 tp -93.7 121.85 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 2.57 109.279 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.44 134.26 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 2.08 109.257 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.1 ttt -90.32 96.45 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 2.38 110.966 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' ALA . 6.8 t -113.11 59.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 2.45 110.403 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -40.52 160.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.51 109.295 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ALA . 7.9 mtm -35.9 140.52 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 6.91 111.016 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 3.69 110.968 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.23 -56.36 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 5.05 111.009 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.2 mmm -125.33 102.28 7.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 7.01 111.016 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 66.34 86.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 9.84 110.24 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.37 87.75 5.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 6.11 109.656 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.33 116.84 11.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 3.35 109.985 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 145.3 31.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 1.83 111.04 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.91 128.84 52.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 5.59 110.971 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.65 140.15 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 2.23 109.307 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.454 HG13 ' CG ' ' A' ' 38' ' ' LEU . 4.1 p -97.83 174.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 2.23 109.244 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 58.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 6.25 109.284 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.24 173.84 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.5 109.273 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.91 139.69 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 1.61 109.397 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 p -92.38 130.64 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 3.3 109.295 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.07 136.0 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.27 110.043 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.87 170.89 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 1.49 110.941 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.72 55.79 0.49 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.964 -0.855 . . . . 2.88 110.964 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.75 -62.35 0.81 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.96 -0.856 . . . . 2.65 110.96 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.69 154.06 50.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 2.41 109.332 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -10.66 21.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 1.53 110.963 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -87.28 -31.82 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 2.85 109.322 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -87.95 120.63 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 1.81 110.398 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.3 mpp? -110.16 151.75 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 2.01 111.028 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.0 t -151.04 121.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 3.04 109.322 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -91.84 124.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 1.55 109.296 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.78 109.11 14.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 1.81 110.397 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.96 18.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.58 111.044 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.43 78.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 1.77 109.337 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 153.99 37.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.09 109.965 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 126.74 10.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.9 110.983 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 29.7 mt -71.13 115.74 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 1.64 109.266 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.9 p -90.33 169.2 11.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 1.69 110.417 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.82 167.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 1.61 109.319 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.51 -151.61 16.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.7 110.977 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.424 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -138.25 130.62 28.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 2.73 110.39 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -135.18 169.65 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 3.4 110.945 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.623 ' HZ1' ' HG ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -143.66 115.34 8.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 4.21 109.309 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.544 HG22 HD11 ' A' ' 21' ' ' ILE . 2.4 t -87.91 116.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 2.32 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.34 124.81 44.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 2.31 109.287 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.606 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 47.8 p-90 -118.97 158.02 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.56 108.014 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.51 122.0 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 4.32 110.323 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . . . -106.99 144.5 33.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 1.78 109.277 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.6 t -138.81 113.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 3.25 109.282 179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -77.47 -64.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 3.86 110.026 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -176.23 -57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 3.43 109.94 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.3 167.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 6.11 109.35 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.9 m -82.93 60.14 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 6.19 110.358 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -156.88 88.35 2.69 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 6.73 109.593 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 150.98 39.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.783 . . . . 1.85 111.012 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 2.8 tp -114.07 103.71 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 4.89 109.219 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.5 p -90.4 161.26 15.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 1.99 110.399 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.584 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -166.83 159.94 33.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.5 111.014 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.623 ' HG ' ' HZ1' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -141.05 154.05 45.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.83 110.021 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.401 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 t -136.97 107.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 1.93 109.296 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.7 t -89.4 138.58 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 1.67 110.433 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.4 p90 -150.15 150.34 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 3.12 110.937 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -104.67 164.0 12.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 3.45 109.281 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 87.4 t -141.13 120.82 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 1.62 109.361 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 3.11 109.297 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.807 ' H2 ' ' CD2' ' A' ' 91' ' ' HIS . 1.3 t60 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.539 -0.541 . . . . 11.18 109.539 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.781 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 -162.16 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.544 1.813 . . . . 5.15 111.042 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -111.71 164.35 13.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 5.8 109.353 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.526 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.6 172.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 2.32 109.339 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.6 t -56.54 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 2.06 109.261 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 1.5 m -139.1 153.63 48.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.96 110.03 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . 13.9 p -157.98 168.96 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.44 109.971 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 12.0 m -140.05 57.1 8.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 1.87 110.409 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.99 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.42 111.007 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.456 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . -176.95 44.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 1.55 109.394 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 101.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 2.27 110.283 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.88 40.37 3.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.8 110.962 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.97 95.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 1.38 110.033 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.01 121.96 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.88 110.267 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.31 -45.09 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 1.23 110.965 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.91 166.93 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 2.14 109.293 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -75.34 138.19 71.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 2.11 109.334 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 10' ' ' ALA . 18.0 Cg_endo -75.07 140.05 24.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 1.39 110.934 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.98 33.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 1.94 109.28 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 148.9 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 5.3 109.291 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.86 142.91 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 1.58 109.287 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -119.3 149.74 41.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 2.26 110.252 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' A' ' 68' ' ' ILE . 4.7 mt -145.2 142.58 29.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 1.83 109.298 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.609 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.0 m-70 -136.1 148.31 48.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.88 109.626 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 5.5 m-85 -155.16 131.9 10.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 4.52 111.007 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.67 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.99 109.969 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -161.39 53.82 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 4.38 110.288 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LEU . 11.1 t30 -46.6 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 4.96 109.285 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' ASN . 8.7 tp 38.26 87.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 7.05 109.25 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 25.4 t -76.17 -89.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 6.59 109.308 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 3.5 m 39.76 41.34 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 4.95 110.364 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -143.33 -85.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 5.76 110.306 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -161.14 28.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 5.08 110.933 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 43.2 t -84.62 139.28 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.66 109.993 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.83 -159.01 10.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 1.18 111.049 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.14 152.73 29.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 2.49 109.222 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -154.73 122.19 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 3.15 109.32 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 74' ' ' LEU . 23.8 tp -91.51 139.83 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 2.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 m -131.9 144.36 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 1.87 109.295 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.542 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -104.59 95.68 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 3.64 111.008 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 41' ' ' THR . 13.0 t -109.39 59.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 1.93 110.458 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.89 133.34 35.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 2.98 109.348 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 48.36 93.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 6.04 111.021 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 3.17 110.977 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.44 -48.81 1.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 3.62 110.918 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 mmt -95.82 78.23 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 0.735 . . . . 5.89 110.975 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 7.8 tt0 42.96 51.68 5.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 6.9 110.304 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 13.6 p-80 49.4 89.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.388 1.055 . . . . 6.84 109.59 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.96 101.37 47.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 2.38 110.007 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.4 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.561 1.822 . . . . 1.56 111.023 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -127.85 110.8 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 3.13 111.025 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.86 140.2 52.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.95 109.257 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 p -123.66 159.12 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 2.17 109.299 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -78.11 129.87 35.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 4.5 109.286 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.11 175.26 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 1.68 109.341 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.28 145.75 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.93 109.309 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.77 127.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 2.92 109.318 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' VAL . 6.5 m -149.39 144.42 26.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.22 109.951 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.67 170.92 54.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 1.4 110.973 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.09 -109.87 1.75 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.032 -0.827 . . . . 2.5 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.0 -23.1 18.52 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.027 -0.829 . . . . 3.19 111.027 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.23 154.71 56.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.75 . . . . 4.19 109.334 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -1.35 11.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 2.82 111.023 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.32 -23.67 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 4.31 109.331 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -94.49 117.63 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 2.17 110.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.471 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -98.75 154.09 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 2.03 111.016 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 58' ' ' SER . 81.9 t -149.13 119.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 2.74 109.29 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 23' ' ' LEU . 1.6 mp -99.47 134.29 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.74 109.315 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.69 119.15 9.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 2.13 110.38 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 134.16 17.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.63 111.036 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.76 -26.08 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 1.76 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 157.15 34.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.81 110.064 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.19 12.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.92 110.973 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 38' ' ' LEU . 45.5 mt -77.27 116.15 17.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 2.03 109.226 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.9 p -95.38 170.68 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.76 110.428 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -48.26 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 1.55 109.348 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -149.61 17.87 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.555 1.159 . . . . 0.56 111.018 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.2 m -140.13 136.5 33.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 1.7 110.458 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 7.8 m-85 -135.12 161.81 34.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 3.14 111.007 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.462 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.1 OUTLIER -130.48 111.62 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 4.91 109.292 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.5 t -86.18 99.24 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 1.7 109.311 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.91 123.71 34.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.96 109.299 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.583 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 26.9 p-90 -123.11 151.02 42.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.94 108.012 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -129.64 132.5 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 4.26 110.323 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.47 51.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 1.93 109.291 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 87' ' ' SER . 54.7 t -118.3 154.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 3.51 109.338 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -124.91 -158.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.68 109.984 -179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 m -58.91 -84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 3.79 110.014 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 90' ' ' THR . 0.1 OUTLIER -138.62 106.0 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 5.63 109.327 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER 171.12 162.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 6.64 110.363 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.807 ' CD2' ' H2 ' ' A' ' 1' ' ' HIS . 1.7 p-80 -39.62 157.52 0.14 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 6.72 109.551 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 150.74 38.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 2.96 110.997 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.586 HD11 ' H3 ' ' A' ' 1' ' ' HIS . 13.2 mm -107.62 75.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 3.23 109.368 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.0 p -85.36 160.11 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.71 110.422 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -173.66 151.77 14.0 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.544 1.152 . . . . 0.69 111.024 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.84 155.19 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 1.23 109.989 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 69.6 t -132.56 103.04 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.541 1.151 . . . . 2.14 109.3 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 5.7 t -86.6 141.68 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.62 110.367 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.7 p90 -154.11 148.58 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 3.16 110.974 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -103.67 159.06 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 3.98 109.375 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 95.3 t -134.9 121.99 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.77 109.3 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 3.22 109.242 -179.982 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.813 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . 40.1 m-70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.588 -0.523 . . . . 12.42 109.588 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.813 ' HD3' ' H3 ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -75.0 -78.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 6.99 110.974 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -109.84 165.17 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 4.58 109.324 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.33 172.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 1.91 109.316 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.6 t -51.53 -76.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 2.04 109.248 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -152.32 152.67 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.55 109.965 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.418 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 79.0 p -156.82 167.03 31.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.37 109.986 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.527 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -137.35 58.17 16.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 2.42 110.413 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.93 -63.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.54 110.973 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 163.73 44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 2.0 109.299 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.12 107.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 2.7 110.254 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.06 63.7 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.17 . . . . 1.52 110.965 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.45 129.2 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 2.87 109.95 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -101.53 138.03 39.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 3.77 110.322 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.65 -116.13 0.4 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.425 1.078 . . . . 2.67 110.935 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 174.78 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 4.49 109.259 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.19 86.94 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 4.06 109.312 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.01 175.52 11.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 2.5 110.991 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.73 -75.54 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 2.05 109.304 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 158.05 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 3.98 109.28 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -88.77 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 1.73 109.291 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -111.37 149.71 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 1.69 110.296 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 12.2 mt -148.57 144.7 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 1.59 109.287 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.441 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 73.0 m-70 -136.07 149.84 48.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.61 109.642 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 25.3 m-85 -153.3 119.87 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 3.47 111.015 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -70.2 -12.43 61.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 1.99 109.997 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.9 50.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 4.27 110.351 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LEU . 9.2 t30 -48.68 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 4.74 109.301 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 39.31 78.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 7.35 109.297 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 31' ' ' THR . 12.6 t -55.75 -93.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 6.54 109.265 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.507 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 1.4 m 43.02 46.44 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 6.27 110.409 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER 176.67 61.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 6.18 110.334 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' GLN . 43.2 m-85 35.76 65.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 6.82 110.944 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -116.77 136.63 52.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.97 109.952 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -154.02 17.67 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 1.36 111.028 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.19 168.61 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 2.21 109.235 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 132.36 10.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 5.94 109.25 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 8.5 tp -90.62 143.11 27.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 1.8 109.355 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -141.64 137.38 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 1.97 109.355 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.57 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.3 ttt -90.14 97.62 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 3.21 111.023 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.7 t -117.49 59.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 2.3 110.463 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.42 -70.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.38 109.269 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtp -125.28 155.25 71.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 4.83 111.018 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 85.98 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 3.75 111.015 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.25 -56.73 2.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 4.78 111.043 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mmt -95.41 66.6 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 7.44 111.048 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' C ' ' CG ' ' A' ' 48' ' ' HIS . 1.6 tt0 53.95 56.54 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 6.04 110.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 47' ' ' GLU . 10.8 p-80 44.73 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 8.87 109.564 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -148.31 127.48 6.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 4.31 109.974 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 139.5 24.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 2.09 110.992 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.6 mtt -107.79 110.92 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 5.37 111.001 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.51 139.9 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 1.9 109.26 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.3 p -103.57 155.83 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 2.01 109.335 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -78.88 57.95 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 5.8 109.297 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.18 174.67 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 2.12 109.3 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.05 148.23 33.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 2.27 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 m -111.43 126.21 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 3.26 109.311 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -139.07 132.51 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.36 109.964 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.0 160.37 53.34 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 1.12 110.973 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.82 -139.32 8.59 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.958 -0.857 . . . . 1.96 110.958 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.07 -56.46 16.62 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 2.8 111.037 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.17 157.05 34.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 2.32 109.332 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -5.84 17.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.494 1.786 . . . . 2.21 110.954 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -84.71 -25.8 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 3.48 109.278 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.86 127.84 43.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 2.02 110.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.482 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.42 149.42 27.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.78 111.023 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -142.33 113.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 2.78 109.292 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -86.38 120.14 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 2.01 109.316 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.0 104.23 18.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 1.69 110.429 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 135.35 18.89 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.453 1.765 . . . . 0.74 111.008 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.05 82.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.97 109.306 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.53 145.83 30.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 1.12 109.988 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.04 12.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 1.34 110.959 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.461 ' CD1' ' HD2' ' A' ' 18' ' ' PRO . 29.9 mt -62.42 115.37 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 2.4 109.332 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 p -86.39 162.54 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 1.89 110.441 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.61 139.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 1.85 109.307 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.29 -154.98 24.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.458 1.099 . . . . 0.58 110.96 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.534 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.8 m -141.15 146.59 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 0.719 . . . . 2.32 110.41 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.9 m-85 -142.75 171.45 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 3.12 111.049 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.454 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -142.32 112.84 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 3.09 109.272 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 39.3 t -84.96 113.58 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 1.76 109.325 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.54 125.47 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 2.35 109.324 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.581 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 35.2 p-90 -121.09 149.2 43.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.964 -1.124 . . . . 0.8 107.964 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -142.13 123.74 15.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.96 110.272 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.5 119.02 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 1.98 109.315 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 89' ' ' ASP . 52.1 t -100.1 100.0 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 4.59 109.288 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -72.91 103.85 3.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 3.87 109.934 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t 40.33 52.53 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 3.4 109.985 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.472 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 0.8 OUTLIER 57.45 166.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 7.82 109.329 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m 61.67 155.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 4.95 110.398 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 m80 46.95 74.75 0.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 7.22 109.631 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.41 6.06 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.55 1.816 . . . . 3.42 110.951 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.8 mm -96.0 94.35 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 3.68 109.268 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.9 p -103.32 160.6 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 2.24 110.421 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.08 162.19 35.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.78 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.454 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -139.02 156.43 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.82 110.002 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 17.6 t -136.06 108.66 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 1.6 109.255 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.76 133.85 35.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 1.63 110.355 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -142.05 161.56 37.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 3.14 110.948 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 158.47 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 3.54 109.32 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.0 t -139.78 119.45 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 2.18 109.313 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 3.72 109.292 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.643 -0.503 . . . . 11.99 109.643 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 137.01 21.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 5.94 110.996 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 158.88 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 6.83 109.28 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -53.87 174.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.82 109.265 -179.955 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 4' ' ' LEU . 90.9 t -63.86 -86.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.77 109.26 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.456 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -132.36 147.56 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.69 110.043 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.6 p -157.39 166.99 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.48 110.024 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 80.4 m -136.9 59.04 20.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 2.02 110.413 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.97 -66.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.46 110.964 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 166.89 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.65 109.294 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.67 110.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 1.112 . . . . 2.23 110.335 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.76 35.85 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.74 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -70.64 98.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 1.39 110.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -105.92 125.94 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.69 110.283 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.73 -43.97 0.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 1.21 110.997 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.92 165.56 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 2.33 109.319 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -87.83 137.87 31.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 2.66 109.301 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.51 16.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 1.75 111.01 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.35 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 2.52 109.293 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 154.36 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 3.69 109.334 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -86.0 144.73 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 1.52 109.346 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -115.94 150.19 37.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 3.16 110.267 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 12.7 mt -147.01 143.78 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.63 109.347 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' SER . 56.6 m-70 -136.87 160.79 37.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.67 109.53 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 13.6 m-85 -155.0 131.21 10.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 3.79 110.996 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -69.61 -11.87 61.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.38 109.918 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.39 141.13 49.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.94 110.254 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -40.19 142.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 5.97 109.295 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -110.23 99.51 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 8.22 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.33 158.3 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 5.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.403 ' O ' ' OG1' ' A' ' 31' ' ' THR . 0.4 OUTLIER -103.57 61.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 5.07 110.375 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -95.86 -56.64 2.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 5.19 110.29 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -139.0 22.15 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 1.081 . . . . 5.88 110.989 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 t -90.21 168.5 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 1.62 109.942 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.37 -179.35 34.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.591 1.182 . . . . 0.94 110.985 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.593 ' CB ' HD12 ' A' ' 68' ' ' ILE . . . -155.37 150.83 27.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 0.771 . . . . 1.9 109.343 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 126.42 7.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.124 . . . . 3.33 109.329 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -94.48 133.57 37.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 2.28 109.316 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.26 137.53 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 1.85 109.289 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -93.85 98.19 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 3.48 111.006 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -107.78 59.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.84 110.366 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -41.86 -63.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.13 109.356 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.6 tpt -144.14 128.84 9.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 6.13 111.041 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.84 7.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 3.62 111.026 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.69 -54.46 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 3.95 111.018 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -107.19 87.45 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 0.799 . . . . 6.1 111.023 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 40.35 76.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 7.39 110.317 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 p80 40.79 90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 8.44 109.596 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -116.82 80.95 11.42 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 2.98 109.976 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.11 42.13 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.75 110.993 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ALA . 1.7 mtt -116.06 89.39 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 4.41 110.997 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' MET . . . -40.26 144.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 1.74 109.256 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.41 146.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.9 109.361 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.88 96.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 6.09 109.236 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -140.28 175.24 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 1.89 109.272 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.18 144.45 27.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 2.14 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.33 128.3 60.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 3.03 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 3.0 m -137.73 147.58 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 1.67 110.014 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -78.44 151.31 36.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 1.55 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.51 -132.37 2.03 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.939 -0.864 . . . . 2.1 110.939 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.41 -52.59 42.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 2.49 111.01 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.03 165.7 12.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 3.27 109.263 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.15 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.48 110.98 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -86.89 -9.77 54.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 3.62 109.251 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -110.61 117.0 32.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.76 110.373 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.26 160.87 14.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 1.73 110.972 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 58' ' ' SER . 7.1 p -153.86 122.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 3.99 109.25 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.593 HD12 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -95.66 122.91 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 1.64 109.315 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.31 107.38 24.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 1.67 110.416 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 135.33 18.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.59 110.977 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.98 74.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 1.76 109.309 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.63 152.59 37.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.89 110.044 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.84 110.979 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -75.7 116.97 16.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.427 1.079 . . . . 1.77 109.315 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 p -90.45 175.1 7.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 1.69 110.407 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -58.04 161.62 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 2.06 109.339 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.67 -154.46 19.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.71 110.97 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -128.01 134.23 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 2.3 110.425 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.2 m-85 -138.19 170.41 16.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 3.35 110.997 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CE ' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -146.95 114.97 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 2.71 109.283 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.84 108.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 1.86 109.261 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.68 116.61 29.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 2.1 109.333 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.655 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 39.0 p-90 -114.21 160.34 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.028 -1.101 . . . . 0.55 108.028 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -145.09 122.85 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 4.15 110.257 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . . . -104.53 172.24 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.82 109.331 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.0 146.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 4.27 109.293 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -141.48 75.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 3.76 110.027 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m 55.89 166.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 3.46 109.964 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 54.6 171.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 5.07 109.289 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -90.95 78.91 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 8.1 110.397 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -162.07 72.38 2.32 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 5.5 109.584 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 157.63 43.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 2.71 111.004 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 93' ' ' ILE . 5.4 mp -104.7 136.24 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 3.21 109.293 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -103.2 147.23 27.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 2.08 110.437 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.535 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.56 155.33 26.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.6 110.946 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' CB ' ' CE ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -144.81 144.21 31.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 0.727 . . . . 0.86 109.933 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -125.55 105.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 1.83 109.359 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -89.03 136.39 33.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 1.6 110.435 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.9 p90 -149.45 154.69 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 3.09 110.954 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -103.51 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 2.86 109.24 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 44.6 t -141.96 114.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 1.91 109.302 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 4.15 109.341 179.983 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 22.7 p-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.593 -0.521 . . . . 9.89 109.593 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HG2' ' CG1' ' A' ' 93' ' ' ILE . 18.2 Cg_endo -75.0 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 6.49 111.024 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.03 128.75 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 4.84 109.286 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.6 145.54 18.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 2.24 109.297 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' N ' HD22 ' A' ' 4' ' ' LEU . 57.4 t -54.04 -81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 2.72 109.327 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.22 151.19 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.89 110.04 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.444 ' CB ' HD21 ' A' ' 23' ' ' LEU . 76.2 p -156.65 168.36 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.72 110.001 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.552 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -138.04 56.82 11.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.7 110.36 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.552 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.97 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.592 1.838 . . . . 0.62 110.983 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 99' ' ' PHE . . . -175.78 43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 1.97 109.243 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -37.7 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 2.52 110.345 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . 38.95 34.64 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.85 110.998 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -67.38 97.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 1.45 110.011 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 9.7 mt-10 -105.49 126.79 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 1.94 110.383 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.93 -39.4 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 1.17 111.016 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 0.807 . . . . 2.46 109.27 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -73.02 140.04 80.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 2.69 109.37 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 141.11 26.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.586 1.835 . . . . 1.81 110.968 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.2 -51.71 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.191 . . . . 2.31 109.305 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -155.23 154.66 32.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 3.33 109.324 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.414 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.04 147.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 1.79 109.31 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -124.9 153.9 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.85 110.315 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 12.5 mt -149.33 146.63 27.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.93 109.24 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.465 ' CE1' HG22 ' A' ' 65' ' ' THR . 51.0 m-70 -137.13 159.62 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.13 109.576 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.611 ' HE2' HD11 ' A' ' 93' ' ' ILE . 11.3 m-85 -155.2 110.96 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 4.5 111.024 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.7 m -69.72 -7.91 43.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 2.75 109.978 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.83 -70.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 3.98 110.275 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.527 ' ND2' ' H ' ' A' ' 29' ' ' LEU . 4.9 t-20 169.51 153.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 4.45 109.304 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -142.24 103.57 4.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 8.5 109.255 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG11 ' N ' ' A' ' 31' ' ' THR . 1.2 t -101.96 161.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 4.66 109.31 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.406 ' N ' HG11 ' A' ' 30' ' ' VAL . 8.9 t -103.88 57.01 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 5.06 110.374 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -87.65 -42.25 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.064 . . . . 5.51 110.32 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 28.1 m-85 -166.32 31.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 5.1 111.0 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.5 p -103.07 169.89 8.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.95 110.056 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.1 171.99 28.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 1.36 110.935 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.32 174.34 9.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 1.73 109.325 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -154.69 125.4 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 4.01 109.291 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 74' ' ' LEU . 26.6 tp -93.47 141.44 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 2.07 109.292 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 m -141.61 144.04 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 1.71 109.243 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -104.32 97.97 7.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 2.66 111.007 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -108.51 59.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 1.86 110.466 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.0 132.58 36.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 2.99 109.28 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.4 85.51 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 5.97 111.003 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.77 6.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 3.34 110.985 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.62 -42.81 0.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 3.73 110.949 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mmt -86.72 65.71 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 5.31 110.959 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.37 49.64 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 7.17 110.242 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.9 m80 65.4 90.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 7.47 109.59 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 p -115.03 90.4 23.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 4.08 109.967 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 1.43 111.016 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -109.06 96.27 6.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 4.29 111.033 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.32 139.02 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 2.42 109.266 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.417 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.4 p -119.53 173.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 2.17 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -98.29 126.54 43.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 6.81 109.259 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.95 174.21 14.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 1.81 109.225 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.47 150.69 46.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 1.9 109.244 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.1 132.7 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 2.91 109.278 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -148.22 136.57 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.22 110.057 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.09 166.5 53.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 1.22 111.002 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.05 -121.13 3.56 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.98 -0.848 . . . . 1.66 110.98 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.04 30.67 6.87 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.958 -0.857 . . . . 3.71 110.958 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.89 153.2 0.64 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 3.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -13.57 21.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 1.54 111.031 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -86.05 -19.77 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 4.74 109.277 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.465 HG22 ' CE1' ' A' ' 24' ' ' HIS . 6.0 m -104.49 117.14 33.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 2.33 110.349 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 3.3 tpp -101.81 155.93 17.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 2.52 111.019 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.57 110.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 2.81 109.317 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mp -87.07 127.58 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 1.91 109.315 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 109.45 15.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 1.86 110.343 -179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.3 20.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.76 111.006 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.95 109.321 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 152.11 40.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.05 109.958 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.47 26.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 1.03 110.984 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' HD23 ' A' ' 38' ' ' LEU . 30.6 mt -91.23 116.74 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 1.91 109.275 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -95.91 175.04 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 2.08 110.379 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.32 174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.79 109.319 179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -145.12 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.61 110.974 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.599 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.8 m -145.23 145.55 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 2.11 110.421 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 78' ' ' THR . 3.0 m-85 -146.09 170.24 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 3.06 111.037 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 109.82 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 2.71 109.313 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.88 112.29 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 1.92 109.3 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -95.29 121.34 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 1.94 109.305 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.626 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 28.6 p-90 -110.23 150.74 28.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.98 107.971 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -144.98 127.88 16.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 4.55 110.315 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.738 ' HB1' HD13 ' A' ' 93' ' ' ILE . . . -115.54 78.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 2.1 109.324 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 92' ' ' PRO . 77.7 t -92.6 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 5.28 109.237 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t 61.31 14.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 9.75 109.993 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.646 ' HG ' ' HB1' ' A' ' 85' ' ' ALA . 42.4 p -69.32 -42.61 75.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 9.79 109.996 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -176.97 68.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 10.4 109.241 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m 63.3 126.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 7.37 110.398 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 63.81 123.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 5.99 109.58 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HB3' ' CG2' ' A' ' 86' ' ' VAL . 17.9 Cg_endo -75.09 143.27 28.57 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.446 1.761 . . . . 2.6 110.932 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.738 HD13 ' HB1' ' A' ' 85' ' ' ALA . 1.2 mp -110.88 102.32 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 4.29 109.257 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.3 p -103.01 136.81 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 1.89 110.423 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.74 170.06 42.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 1.03 111.02 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.98 150.52 33.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 0.815 . . . . 1.39 110.025 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 4.5 t -124.33 115.01 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 1.71 109.286 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 t -87.97 142.33 27.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 1.64 110.379 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 79' ' ' TYR . 37.2 p90 -151.27 149.5 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 3.14 111.0 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 4.9 mtpm? -104.24 159.93 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 4.5 109.311 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.9 t -134.28 124.48 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 1.82 109.31 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 4.0 109.294 -179.982 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.726 ' HD1' ' CD ' ' A' ' 2' ' ' PRO . 1.6 m-70 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.609 -0.515 . . . . 9.89 109.609 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.726 ' CD ' ' HD1' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 7.13 111.041 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -150.55 165.25 33.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 7.15 109.278 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -54.47 112.68 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 2.37 109.349 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 27' ' ' GLU . 14.4 t -50.27 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 1.9 109.297 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.421 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -146.98 147.97 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.65 110.042 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.41 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 77.8 p -156.44 166.02 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.36 109.999 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 97.0 m -137.1 57.56 15.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.87 110.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.02 -63.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.767 . . . . 0.62 110.979 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 162.96 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 2.11 109.269 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.4 109.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 2.3 110.296 179.89 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 34.15 65.15 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.453 1.096 . . . . 1.54 110.977 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.81 132.38 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 3.25 109.986 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -99.42 140.84 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 3.34 110.3 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.29 -123.92 0.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 2.99 111.013 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 176.63 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 4.75 109.316 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.24 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 4.38 109.246 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -172.97 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 2.8 110.956 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -70.07 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 1.7 109.333 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.21 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 3.88 109.331 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -103.27 142.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 1.96 109.278 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -108.11 145.75 33.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 1.86 110.306 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.913 HD11 HD11 ' A' ' 68' ' ' ILE . 13.2 mt -148.06 144.76 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.85 109.376 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -141.79 136.43 30.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.3 109.605 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CE1' HD23 ' A' ' 4' ' ' LEU . 92.2 m-85 -143.09 77.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 3.7 110.998 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -81.23 5.84 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 3.99 110.004 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 6.2 tp10 -86.98 -58.0 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 5.6 110.341 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.509 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 1.9 p-10 -91.41 -42.39 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 5.17 109.305 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' N ' ' ND2' ' A' ' 28' ' ' ASN . 0.6 OUTLIER 36.78 79.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 8.53 109.293 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' O ' ' CG2' ' A' ' 31' ' ' THR . 1.4 t -158.75 -42.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 5.39 109.268 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.543 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 6.5 t 48.42 51.68 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 6.67 110.381 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 1.3 mm-40 -82.2 -63.81 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 6.17 110.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -114.47 19.65 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 5.47 111.03 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 p -84.68 171.41 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 1.92 109.992 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.98 -166.92 39.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 1.01 110.993 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.23 165.47 36.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 1.79 109.261 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -151.7 116.83 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 2.81 109.349 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 HD13 ' CG2' ' A' ' 81' ' ' VAL . 17.7 tp -86.96 135.54 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.73 109.302 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 m -133.06 134.88 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 1.68 109.278 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.9 97.02 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 2.89 110.965 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.9 t -111.83 59.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 1.79 110.368 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.01 -71.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 2.05 109.358 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.11 126.51 26.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 6.05 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 94.8 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 2.91 111.015 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.11 -59.06 2.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 3.83 111.007 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 mmt -102.62 81.99 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 5.64 111.0 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 41.78 72.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 6.55 110.316 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 41.31 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 7.11 109.633 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -117.11 91.61 37.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.63 110.047 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.92 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.558 1.82 . . . . 1.67 111.048 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 mmt -95.43 96.49 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 3.76 111.02 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.74 147.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 1.96 109.335 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' A' ' 38' ' ' LEU . 8.7 p -113.63 156.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 1.88 109.29 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.57 61.0 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 4.03 109.34 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.4 174.34 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 2.13 109.304 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.83 142.7 30.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 1.98 109.265 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.581 HG21 HD12 ' A' ' 68' ' ' ILE . 41.2 t -108.37 121.38 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 4.07 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -114.33 174.26 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 1.35 110.071 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.88 149.77 20.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 1.18 111.004 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.56 -138.87 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.855 . . . . 2.76 110.964 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.0 31.65 7.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 2.57 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.59 151.74 9.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 3.03 109.307 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HB2' ' N ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.97 -0.03 9.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 2.41 111.023 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -105.47 -1.15 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 3.36 109.307 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -115.61 121.47 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 2.31 110.422 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -131.47 147.21 52.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 2.02 110.958 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.52 126.52 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 3.02 109.278 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.913 HD11 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -94.55 121.33 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 1.73 109.255 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.84 103.37 15.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 1.68 110.364 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 134.77 18.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.601 1.843 . . . . 0.64 110.904 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.89 81.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 1.91 109.321 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.17 145.93 30.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.08 109.944 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.8 110.964 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 38' ' ' LEU . 30.7 mt -62.95 115.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 2.07 109.358 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -88.05 165.72 14.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.83 110.384 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.84 151.49 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 1.83 109.307 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.6 -152.49 17.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.67 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.555 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 48.9 m -130.94 148.39 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 2.07 110.44 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 11.4 m-85 -143.15 162.58 35.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.608 1.192 . . . . 3.05 110.956 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -130.88 120.79 24.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 5.05 109.321 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 38' ' ' LEU . 77.7 t -96.64 103.56 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 1.7 109.311 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.67 104.72 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.75 109.243 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.657 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 23.6 p-90 -102.08 160.4 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.72 108.023 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 94' ' ' THR . 0.1 OUTLIER -146.98 136.55 22.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 5.93 110.296 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.417 ' CB ' HD12 ' A' ' 93' ' ' ILE . . . -105.47 153.24 21.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 1.73 109.294 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG21 ' N ' ' A' ' 87' ' ' SER . 11.6 p -88.09 146.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 5.38 109.293 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -146.98 122.47 10.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 4.6 109.994 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -54.39 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 3.39 109.999 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.93 137.38 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 6.26 109.325 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.9 m -41.42 139.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 6.96 110.404 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 68.0 111.19 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 8.72 109.602 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 3.77 110.968 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.417 HD12 ' CB ' ' A' ' 85' ' ' ALA . 20.7 pt -110.73 148.2 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 4.61 109.332 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' A' ' 84' ' ' ARG . 76.9 p -119.02 165.02 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 2.23 110.412 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.54 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.9 165.18 35.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.64 110.965 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.21 142.35 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 1.02 109.991 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 97.5 t -134.33 103.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 2.07 109.309 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.441 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 7.5 t -84.69 140.18 31.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.58 110.401 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.4 p90 -149.76 160.44 43.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 3.19 110.928 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.12 165.48 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 2.74 109.358 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.4 t -148.68 118.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 1.94 109.284 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 5.36 109.294 179.964 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.656 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.583 -0.525 . . . . 12.13 109.583 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.656 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.4 Cg_endo -74.92 144.96 31.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 8.07 111.036 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.93 124.74 9.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 8.21 109.284 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' HB3' ' CH2' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -87.41 173.48 9.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.98 109.345 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.44 ' N ' HD21 ' A' ' 4' ' ' LEU . 60.5 t -50.77 -79.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 2.3 109.283 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.462 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -152.21 145.72 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 1.0 109.956 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' A' ' 23' ' ' LEU . 77.2 p -156.38 165.88 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.44 110.019 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 55.0 m -141.09 58.99 9.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 1.78 110.394 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -71.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.516 1.798 . . . . 0.46 111.011 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.08 43.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 1.54 109.362 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -38.27 107.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.77 110.318 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.52 37.95 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.71 111.033 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.17 95.27 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 0.757 . . . . 1.37 110.013 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 13.2 mt-10 -104.82 127.74 52.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 2.01 110.367 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.99 -48.33 0.72 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.088 . . . . 1.26 111.058 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.44 168.64 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 2.15 109.289 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -80.21 137.41 52.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 2.25 109.329 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.524 1.802 . . . . 1.23 111.013 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.05 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 1.71 109.249 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 152.71 30.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.497 1.123 . . . . 4.02 109.324 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -87.73 139.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 1.5 109.293 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 tt0 -116.7 149.56 39.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.72 110.354 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 68' ' ' ILE . 10.5 mt -148.03 147.72 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 1.82 109.26 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.435 ' CE1' ' OG1' ' A' ' 65' ' ' THR . 64.6 m-70 -145.14 147.24 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.1 109.521 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.522 ' CD2' ' HB1' ' A' ' 85' ' ' ALA . 11.2 m-85 -151.91 99.97 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 4.18 111.05 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -7.3 38.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 2.13 109.982 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ASN . 2.3 tt0 -95.75 33.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 5.11 110.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.3 t-20 61.55 138.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 4.9 109.238 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' CD2' ' CG ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -124.05 92.33 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 8.22 109.306 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 31' ' ' THR . 2.1 t -84.63 158.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 4.96 109.293 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 8.8 t -103.19 58.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 4.77 110.383 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -106.1 -43.11 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 5.56 110.286 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -147.15 17.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 5.53 110.944 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -97.48 159.38 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 1.92 109.979 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.98 -168.47 39.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 1.05 110.999 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.56 153.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 1.93 109.268 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -155.0 122.95 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 4.23 109.396 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD12 ' CG2' ' A' ' 81' ' ' VAL . 14.7 tp -94.86 131.08 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 1.95 109.243 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.49 133.31 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 2.3 109.309 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.57 95.93 10.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 3.31 110.977 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.7 t -108.69 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 2.0 110.444 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' MET . . . -52.53 178.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 2.32 109.269 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -37.38 152.81 0.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 7.22 111.004 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 137.09 20.98 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 3.43 110.963 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.94 -49.95 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.547 1.154 . . . . 3.87 110.978 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 mmm -105.68 71.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 5.96 111.032 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER 40.88 53.0 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 5.8 110.271 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 11.1 p80 47.32 86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 7.87 109.556 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.48 85.93 32.98 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.503 1.127 . . . . 2.65 110.003 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 165.98 30.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.6 111.003 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtt -145.36 151.29 38.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 3.07 110.976 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.59 145.59 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 2.17 109.288 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.52 130.3 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 2.0 109.268 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -58.13 103.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 4.81 109.337 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -134.05 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.56 109.365 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.14 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 2.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.3 m -114.66 123.94 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 3.37 109.332 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -132.78 176.31 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.18 110.007 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.43 153.91 16.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 1.03 110.976 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.38 76.37 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.085 -0.806 . . . . 2.45 111.085 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.43 39.12 4.2 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.031 -0.828 . . . . 2.65 111.031 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.18 142.33 0.6 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.434 0.726 . . . . 2.4 109.295 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -16.45 20.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.36 1.716 . . . . 1.38 110.98 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -15.09 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 3.01 109.295 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.435 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 2.1 m -110.52 122.41 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 1.78 110.426 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -114.47 158.82 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 2.02 110.934 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 p -156.27 126.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 3.61 109.284 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 23' ' ' LEU . 1.4 mp -99.8 130.82 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 1.8 109.301 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.61 115.95 14.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 1.79 110.39 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.547 1.814 . . . . 0.74 111.02 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.11 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 1.75 109.284 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 158.98 31.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.89 110.039 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.91 111.026 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 73.6 mt -72.75 118.79 16.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 1.72 109.308 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.8 p -92.36 175.45 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 2.04 110.414 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -53.77 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.97 109.232 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.03 -146.38 18.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.74 110.995 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.504 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 62.6 m -144.72 145.18 31.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 1.93 110.388 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.6 m-85 -140.7 164.73 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 3.33 111.012 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 110.35 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 3.39 109.227 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.43 ' CG2' HD12 ' A' ' 38' ' ' LEU . 42.4 t -85.71 103.05 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.7 109.32 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 111.84 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 2.15 109.25 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.629 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 26.7 p-90 -110.13 159.18 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.59 108.026 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -138.89 117.2 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 4.26 110.292 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.522 ' HB1' ' CD2' ' A' ' 25' ' ' PHE . . . -103.63 143.6 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 2.18 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.4 t -137.37 157.78 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 3.44 109.291 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 t -141.77 52.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 4.41 109.997 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER 69.77 -60.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 3.98 110.031 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 88' ' ' SER . 0.4 OUTLIER -39.71 143.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 6.44 109.286 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 t -75.65 57.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 5.68 110.481 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -156.03 83.86 3.4 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 5.34 109.601 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 130.72 13.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.418 1.746 . . . . 2.38 111.02 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.6 111.47 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 4.25 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.44 ' O ' ' CG ' ' A' ' 2' ' ' PRO . 20.1 p -86.74 141.03 29.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 2.23 110.404 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -140.12 164.68 26.14 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.457 1.098 . . . . 0.86 111.055 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.39 142.17 25.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.376 0.692 . . . . 0.96 109.974 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 55.0 t -129.29 101.04 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 1.88 109.323 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -85.09 145.71 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.56 110.349 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.5 p90 -153.27 153.8 33.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 3.19 111.024 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.3 mtpt -106.16 157.03 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 3.1 109.296 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 94.8 t -137.65 118.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 1.62 109.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 3.49 109.337 179.922 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.541 ' H1 ' HD13 ' A' ' 93' ' ' ILE . 1.7 m170 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.577 -0.527 . . . . 11.21 109.577 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -51.15 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 6.06 110.968 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -144.58 141.71 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 6.73 109.327 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.62 174.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 1.88 109.339 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.85 -81.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 2.12 109.274 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.28 147.65 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.66 109.987 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 78.3 p -156.48 168.23 28.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.54 110.037 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.545 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 31.4 m -139.84 57.05 8.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 1.78 110.424 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.91 -56.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.9 111.018 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.472 ' HB3' ' CB ' ' A' ' 99' ' ' PHE . . . 165.21 43.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 1.5 109.279 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.29 103.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.66 110.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.9 34.74 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.89 110.945 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.32 97.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 1.53 109.992 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -109.88 120.7 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.92 110.344 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.37 -39.98 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.22 110.998 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.45 148.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 2.53 109.3 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.57 136.41 80.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 2.8 109.298 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.73 40.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 1.73 110.931 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 2.33 109.318 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.91 161.69 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 4.41 109.285 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 HG12 ' CB ' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -85.37 139.2 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.76 109.307 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 7' ' ' SER . 2.0 tt0 -115.99 151.6 35.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.71 110.285 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HG ' ' C ' ' A' ' 22' ' ' GLU . 13.4 mt -147.75 143.87 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 2.06 109.305 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 36.6 m-70 -137.85 158.3 44.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.94 109.66 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.6 m-85 -155.01 116.98 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 3.7 110.986 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -6.63 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 2.12 109.961 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -139.99 72.95 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 5.21 110.3 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 1.2 t30 -149.92 159.18 44.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 4.78 109.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' N ' ' ND2' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -174.89 55.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 8.84 109.33 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 31' ' ' THR . 98.2 t -143.1 -71.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 5.31 109.332 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER 82.66 15.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 7.64 110.331 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.67 -158.88 0.96 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.477 1.111 . . . . 10.82 110.363 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 53.21 19.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 9.09 111.057 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 85' ' ' ALA . 17.1 p -152.91 175.3 13.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 2.26 110.005 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.98 162.61 32.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 1.71 110.968 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.76 175.14 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 2.03 109.269 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -155.18 128.4 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 3.35 109.295 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 74' ' ' LEU . 6.7 tp -100.63 132.28 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.07 109.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 m -125.55 127.3 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 2.22 109.286 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 20.7 ttt -86.84 96.86 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 3.05 111.021 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' A' ' 41' ' ' THR . 14.3 t -106.95 59.84 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 2.53 110.444 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.07 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 2.44 109.279 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.63 155.64 29.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 4.71 110.997 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.556 1.819 . . . . 3.22 110.998 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.43 -55.89 0.89 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 3.92 110.973 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 mmt -126.22 74.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 5.46 110.95 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.15 50.9 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 6.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 t60 55.81 80.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 6.91 109.592 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -119.33 79.14 19.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 2.41 109.936 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.528 1.804 . . . . 2.33 111.032 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mmt -124.12 134.35 53.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 3.51 111.011 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.8 141.38 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 2.25 109.356 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG13 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.69 153.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 1.89 109.277 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 111.12 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 4.08 109.32 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.13 175.04 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 2.07 109.302 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.93 141.93 40.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.95 109.31 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.46 129.29 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 3.12 109.294 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -143.77 134.43 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.57 110.009 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -74.88 157.32 50.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 1.8 110.987 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.05 -157.97 32.65 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.066 -0.814 . . . . 2.24 111.066 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.89 -31.62 32.21 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.037 -0.825 . . . . 2.4 111.037 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.17 149.25 40.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 3.08 109.351 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.442 ' CA ' ' HB ' ' A' ' 31' ' ' THR . 18.1 Cg_endo -75.01 -12.87 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 1.71 110.945 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -85.16 -19.11 32.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 3.01 109.359 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.531 HG22 ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -104.26 133.16 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 2.67 110.454 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.415 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -109.96 160.08 16.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 2.3 110.972 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -149.69 116.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 2.82 109.3 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 121.44 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 2.16 109.288 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.04 109.84 31.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 2.21 110.366 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 135.71 19.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.547 1.814 . . . . 1.05 110.978 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.3 61.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 2.34 109.344 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 149.93 37.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.52 110.007 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.4 17.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.813 . . . . 1.56 110.977 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.6 mt -84.11 117.31 23.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 1.79 109.281 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.3 p -97.26 175.42 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.083 . . . . 1.89 110.368 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.86 171.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 1.93 109.322 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.66 -159.15 13.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.84 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 29.0 m -118.18 146.59 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 2.14 110.362 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 36.7 m-85 -145.92 157.21 43.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 3.16 111.046 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.22 113.14 12.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 5.78 109.319 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.9 t -92.13 109.78 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 1.72 109.283 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.62 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.85 109.248 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.606 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 37.7 p-90 -104.51 150.61 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.86 108.082 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.7 129.7 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 4.02 110.261 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 34' ' ' SER . . . -112.15 104.67 12.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 2.78 109.303 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 30.0 t -114.11 61.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 6.26 109.281 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.3 t -109.31 175.09 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 7.26 110.005 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 m -79.31 161.69 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 5.65 109.998 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 44.97 57.97 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 7.62 109.243 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.4 t -176.02 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 9.39 110.441 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 0.1 OUTLIER 78.72 172.49 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 7.53 109.563 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -74.99 107.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.427 1.751 . . . . 2.78 111.024 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.541 HD13 ' H1 ' ' A' ' 1' ' ' HIS . 51.5 mm -107.99 138.4 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 4.27 109.318 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 p -113.69 149.74 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 2.68 110.4 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -154.0 153.19 24.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.8 110.989 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 142.35 30.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 0.8 . . . . 1.65 110.001 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -137.12 105.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 1.97 109.343 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -84.67 144.25 28.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 1.73 110.422 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 23.6 p90 -159.8 149.85 18.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 3.16 110.967 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -102.66 167.55 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 2.97 109.342 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.0 t -139.18 123.16 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 2.06 109.321 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.89 109.275 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.55 -0.537 . . . . 11.82 109.55 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.92 4.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 7.7 111.017 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.64 141.49 23.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 6.02 109.296 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -54.94 106.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 2.71 109.259 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -51.94 -68.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 1.8 109.324 179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.13 148.41 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.6 109.982 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -156.87 167.46 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.42 109.997 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.549 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m -138.04 57.1 12.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 2.24 110.398 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.05 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.5 110.994 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' HB3' ' CB ' ' A' ' 99' ' ' PHE . . . 178.75 44.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 1.4 109.253 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.15 104.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 2.77 110.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.63 37.07 0.5 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.514 1.134 . . . . 0.73 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.6 95.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 0.733 . . . . 1.37 110.014 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -105.46 121.6 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 1.89 110.299 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.99 -40.5 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.1 . . . . 1.22 111.021 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.77 162.05 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 2.39 109.282 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.4 139.88 38.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 2.73 109.265 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.05 164.82 32.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 1.43 110.989 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.12 -49.5 67.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.9 109.264 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -155.42 152.63 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.61 109.278 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.439 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.84 142.22 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 1.82 109.249 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -117.03 151.42 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.394 1.059 . . . . 1.77 110.299 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 16.3 mt -147.65 141.37 25.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.76 109.287 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -134.06 158.65 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.62 109.53 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.9 m-85 -155.67 130.72 9.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 3.27 110.974 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.2 m -71.87 -28.53 63.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 2.09 109.967 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -155.37 132.81 11.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 4.25 110.296 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' LEU . 4.1 t30 -167.57 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 3.88 109.297 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' ASN . 15.2 tp 36.12 68.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 8.67 109.304 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.469 ' O ' ' C ' ' A' ' 31' ' ' THR . 2.4 t -150.99 -48.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 5.73 109.324 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.469 ' C ' ' O ' ' A' ' 30' ' ' VAL . 7.7 t 33.64 61.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 5.01 110.415 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -104.42 -73.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 4.82 110.33 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -106.37 19.87 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 4.78 110.975 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.4 p -85.66 136.91 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 1.89 109.996 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.93 -172.46 36.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.456 1.097 . . . . 0.97 111.054 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.75 161.8 40.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.723 . . . . 1.91 109.329 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.03 124.74 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 3.06 109.324 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 5.3 tp -97.38 130.3 44.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 1.74 109.253 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 m -128.15 134.66 64.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 1.77 109.355 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.05 94.38 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 2.72 110.916 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t -105.76 60.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 2.08 110.384 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -65.02 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 2.1 109.273 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -139.9 161.97 53.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 4.64 110.951 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 79.74 2.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 3.76 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.93 -65.78 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 4.62 111.029 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.2 mtp -121.22 92.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 6.19 111.022 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.2 78.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 5.75 110.315 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.3 p80 40.21 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 7.96 109.559 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.1 90.74 50.27 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 2.45 110.06 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.69 31.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 1.43 111.007 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.9 129.33 56.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 3.65 110.955 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.09 139.43 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 1.75 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.1 p -101.44 167.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 2.06 109.292 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -92.79 111.33 22.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 4.71 109.289 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.62 174.58 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.84 109.263 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.58 144.49 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 1.73 109.294 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 m -109.78 126.29 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 3.16 109.299 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.474 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 13.0 m -143.35 151.41 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.77 109.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -86.48 151.61 24.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 1.41 111.0 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.55 -149.32 10.3 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.039 -0.824 . . . . 2.1 111.039 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.35 -55.16 8.0 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 2.35 111.022 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.22 157.84 33.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 2.27 109.303 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.72 21.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 1.42 111.029 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -14.65 48.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 4.42 109.292 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -107.55 119.31 39.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 1.98 110.431 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.498 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.93 159.3 15.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 2.29 111.032 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 58' ' ' SER . 7.3 p -153.34 124.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 3.92 109.277 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -101.18 123.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.67 109.351 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.08 112.36 33.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 1.82 110.41 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 136.17 19.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.88 110.967 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.57 -21.84 55.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.72 109.296 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.06 152.45 46.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.93 109.991 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.546 1.814 . . . . 0.81 110.995 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 22.5 mt -74.84 116.8 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 1.74 109.325 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.0 p -88.51 172.08 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.77 110.449 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.525 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -53.07 161.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 1.79 109.32 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.72 -154.58 18.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.66 110.974 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.9 m -132.33 135.13 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 1.63 110.342 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.0 m-85 -136.61 153.93 50.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 3.4 110.973 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.586 ' HZ1' ' CB ' ' A' ' 96' ' ' SER . 0.2 OUTLIER -122.12 114.24 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 4.24 109.284 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -91.76 98.05 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 1.88 109.302 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.31 117.86 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.74 109.329 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.657 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 33.3 p-90 -114.65 156.11 25.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.68 108.046 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -138.26 117.22 12.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 4.9 110.307 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.55 153.28 17.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 2.33 109.341 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.4 t -149.83 140.14 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 3.56 109.288 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -135.75 176.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 4.01 110.091 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.79 145.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 3.74 110.022 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t0 66.39 161.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 5.37 109.33 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.1 m -62.71 102.51 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 1.054 . . . . 5.67 110.358 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 71.26 6.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 8.78 109.567 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.14 5.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 3.02 110.96 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.24 123.12 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 3.45 109.26 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.7 p -109.85 137.33 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 2.42 110.34 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.82 159.93 29.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.63 110.978 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.586 ' CB ' ' HZ1' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -143.36 166.79 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.84 109.976 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.425 HG22 ' CG ' ' A' ' 9' ' ' PRO . 17.7 t -146.45 103.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.59 109.262 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -84.74 142.23 29.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 1.82 110.408 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 20.6 p90 -152.45 145.5 24.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 3.04 110.954 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -102.47 162.15 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 3.2 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.525 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 91.2 t -136.19 122.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 1.71 109.34 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 4.56 109.298 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.575 -0.528 . . . . 11.44 109.575 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 6.41 111.026 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HG2' ' CH2' ' A' ' 83' ' ' TRP . 2.2 mttp -150.22 165.25 33.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.185 . . . . 6.51 109.271 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.591 ' CB ' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.28 173.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 2.08 109.269 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 t -59.45 -78.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 2.69 109.287 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 9.3 m -142.52 154.31 44.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.93 109.974 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 55.2 p -157.93 165.58 34.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.413 1.071 . . . . 0.64 110.019 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.3 m -137.7 58.35 16.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 2.12 110.458 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.96 -69.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.47 111.027 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 178.14 44.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 1.97 109.296 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.49 105.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 2.62 110.31 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.34 39.68 2.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.74 110.97 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.2 t -71.96 98.72 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 2.43 109.989 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -108.95 125.44 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.19 110.224 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.54 -45.07 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 1.41 110.995 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.92 157.77 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 0.751 . . . . 2.07 109.312 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' CB ' HG22 ' A' ' 101' ' ' VAL . . . -78.65 137.49 58.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 3.03 109.292 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 157.65 42.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.434 1.755 . . . . 1.52 111.07 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.08 -53.89 50.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 2.05 109.369 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.87 156.77 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 3.47 109.347 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.65 142.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.54 109.301 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.7 mt-10 -116.65 150.1 38.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 2.44 110.332 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 13.3 mt -147.61 144.31 28.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 1.79 109.316 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -134.83 157.41 46.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.92 109.624 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 4' ' ' LEU . 10.8 m-85 -155.33 108.14 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 3.88 111.01 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.71 -6.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.28 110.043 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -118.42 59.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 4.77 110.304 179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' GLU . 2.4 t30 -40.01 131.86 1.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 6.65 109.338 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' VAL . 1.3 tp -156.13 25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 7.6 109.284 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 31' ' ' THR . 1.0 OUTLIER 55.87 166.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 6.17 109.293 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' PHE . 14.7 t -80.52 50.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 6.3 110.361 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -38.98 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 5.82 110.212 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' THR . 61.2 m-85 39.18 28.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 6.05 110.951 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -105.95 175.61 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 1.83 110.02 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.55 -161.01 34.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.94 111.01 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.56 174.21 11.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 1.97 109.325 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.66 127.06 8.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 2.84 109.362 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD2' HG11 ' A' ' 53' ' ' VAL . 13.5 tp -95.22 131.37 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 1.84 109.323 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.55 137.6 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 1.92 109.286 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -93.15 94.68 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 2.54 111.015 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.473 ' O ' ' CG2' ' A' ' 41' ' ' THR . 13.9 t -98.78 59.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 2.22 110.432 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.1 -167.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 2.33 109.274 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 ptp -47.46 142.4 6.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 7.64 111.073 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -88.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 6.04 111.024 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.0 -60.67 1.39 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 5.69 111.025 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 69.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 6.87 110.966 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.5 70.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 6.98 110.353 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.55 46.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 13.56 109.58 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.497 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -83.68 -55.85 0.47 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 7.78 109.971 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 49' ' ' SER . 18.5 Cg_endo -74.98 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 3.86 110.993 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -140.87 129.43 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 4.43 110.969 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 143.4 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 2.35 109.327 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.79 166.26 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 2.2 109.298 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -100.32 92.96 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 5.43 109.354 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -121.49 175.24 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.82 109.35 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.66 150.79 52.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.7 109.299 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.91 123.45 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 3.03 109.295 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 m -131.22 175.65 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.22 110.068 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -112.06 154.58 16.72 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.91 111.053 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.37 60.3 2.21 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.928 -0.869 . . . . 2.41 110.928 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.75 -62.27 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.997 -0.841 . . . . 2.94 110.997 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 154.32 41.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 2.82 109.304 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.818 . . . . 1.55 110.956 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.44 -37.31 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 3.23 109.253 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -95.89 123.85 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 1.73 110.397 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 mpp? -109.34 162.63 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.9 110.952 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -156.02 122.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 3.71 109.34 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 mp -96.45 126.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 2.03 109.313 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.11 112.13 17.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 2.04 110.338 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 135.56 19.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.89 110.968 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.73 73.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 2.28 109.309 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.3 155.4 36.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.21 110.056 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.31 24.32 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 1.35 111.061 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.409 ' CD2' HD23 ' A' ' 38' ' ' LEU . 28.7 mt -85.1 116.25 23.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 1.91 109.311 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -91.09 174.53 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 2.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.507 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -59.35 160.95 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 2.19 109.256 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -143.52 14.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.09 111.023 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.489 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 49.0 m -133.95 141.77 47.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 1.98 110.484 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 30.1 m-85 -144.21 154.85 43.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 3.71 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -133.49 114.33 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 3.83 109.252 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 38' ' ' LEU . 31.7 t -92.79 103.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.83 109.34 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -91.66 117.76 30.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.77 109.274 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.616 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 23.6 p-90 -115.22 153.49 30.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.955 -1.128 . . . . 0.8 107.955 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.75 125.54 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 6.32 110.292 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.596 ' O ' HD13 ' A' ' 93' ' ' ILE . . . -115.14 113.75 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 2.37 109.272 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.4 t -85.31 150.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 3.45 109.281 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -150.02 172.01 15.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 3.41 110.02 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.57 162.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 3.7 109.986 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.15 172.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 6.16 109.275 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -79.74 -179.51 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 5.74 110.426 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 57.52 85.68 0.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 5.92 109.586 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -172.96 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 2.2 111.026 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 85' ' ' ALA . 1.9 mt -105.1 136.19 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 4.31 109.294 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 64.6 p -138.77 148.38 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 2.53 110.328 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 162.41 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 1.06 110.966 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.41 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -140.06 149.79 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.12 109.992 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 86.3 t -130.48 99.49 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.9 109.297 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 t -84.7 145.9 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 1.86 110.45 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.8 p90 -157.04 152.79 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 3.27 111.043 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.35 161.26 15.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 4.7 109.307 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.507 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -134.28 127.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.06 109.293 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 3.83 109.346 179.972 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 65.2 m80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 9.72 109.598 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 101.67 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 10.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 162.78 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 4.97 109.279 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 HD23 ' N ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -59.48 110.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 2.17 109.292 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.92 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 1.82 109.328 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.45 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.4 m -142.05 151.28 42.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.58 109.975 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.9 p -157.56 167.02 31.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.52 109.985 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.0 m -136.49 58.62 21.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 2.04 110.458 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.96 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.772 . . . . 0.5 110.997 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 175.21 45.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.619 1.2 . . . . 1.6 109.299 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.08 110.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 3.2 110.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 37.57 37.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.71 111.039 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.83 100.87 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.31 109.973 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.62 116.41 31.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 2.12 110.312 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.95 -42.86 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 1.16 110.975 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.21 165.55 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 2.34 109.247 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -85.7 138.61 35.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 2.91 109.257 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.02 139.98 24.85 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.516 1.798 . . . . 1.59 110.989 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.48 -43.92 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 2.67 109.311 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 149.43 25.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 3.12 109.254 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -89.08 140.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 1.54 109.312 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 mt-10 -107.94 150.46 27.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 2.02 110.319 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD13 HD11 ' A' ' 68' ' ' ILE . 16.9 mt -146.64 142.79 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 1.99 109.31 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.9 m-70 -136.31 156.84 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.79 109.617 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 18.7 m-85 -155.19 95.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 3.43 111.09 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -6.58 33.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 2.31 109.932 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -142.15 85.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 4.61 110.297 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.551 ' ND2' ' H ' ' A' ' 30' ' ' VAL . 22.4 t30 -150.45 -54.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.138 . . . . 3.73 109.292 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' A' ' 28' ' ' ASN . 1.4 pt? 46.58 45.23 14.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 9.04 109.318 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.551 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 1.7 t -141.38 155.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 5.66 109.299 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 t -62.68 -49.16 76.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 7.87 110.456 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.71 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 12.73 110.26 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 55.71 22.11 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 10.33 110.965 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.8 p -126.63 175.05 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 2.73 109.983 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.76 150.85 22.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 1.63 111.01 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 162.02 36.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 1.89 109.316 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -154.92 126.23 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 3.13 109.348 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' HG21 ' A' ' 81' ' ' VAL . 13.7 tp -97.67 129.74 44.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 2.03 109.236 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.2 m -113.59 143.66 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 2.19 109.328 179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.572 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -97.45 97.06 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 3.59 111.033 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -109.56 60.53 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 2.35 110.417 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.5 -73.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 2.14 109.345 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.38 114.43 15.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 4.36 111.01 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 121.67 6.75 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.455 1.766 . . . . 3.3 110.989 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.36 -56.48 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 4.42 110.96 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -94.09 85.14 4.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 6.16 111.032 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER 33.83 89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 6.83 110.305 -179.895 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 38.76 81.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 7.01 109.614 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 75.12 61.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 3.05 109.979 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.94 13.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 2.31 110.973 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.63 156.02 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 4.33 111.035 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.97 145.58 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 2.26 109.281 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.7 p -110.42 158.84 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.83 109.349 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -87.22 116.91 25.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 5.96 109.251 -179.938 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.4 175.02 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 2.08 109.302 -180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.65 138.02 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 2.36 109.255 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG21 HD12 ' A' ' 68' ' ' ILE . 2.8 p -103.22 126.75 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 3.22 109.341 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -132.39 175.78 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.57 110.002 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -99.36 153.04 19.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.92 110.907 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.75 -120.47 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 2.11 110.965 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.86 25.18 28.29 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 3.22 111.038 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -176.72 158.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 2.61 109.301 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.446 1.761 . . . . 1.83 111.049 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -13.0 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 4.02 109.3 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 24' ' ' HIS . 1.2 m -117.97 132.36 56.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 1.74 110.398 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.21 167.54 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.96 110.942 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -156.19 137.52 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 3.76 109.329 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.569 HD11 HD13 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -106.17 123.38 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.552 1.157 . . . . 1.57 109.316 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.48 107.94 23.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 2.2 110.384 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.78 18.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.8 111.003 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.68 61.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 2.18 109.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.73 152.38 44.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.1 110.028 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.2 21.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.572 1.827 . . . . 1.25 111.008 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mt -88.24 117.53 27.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.78 109.289 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -95.25 167.21 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 1.85 110.36 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -46.38 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.592 1.183 . . . . 1.81 109.314 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.86 -156.2 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.67 110.987 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.4 m -128.53 141.27 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 1.83 110.336 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 13.0 m-85 -142.32 163.14 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 3.4 110.952 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.85 115.59 13.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 5.89 109.317 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 ' CD1' ' A' ' 38' ' ' LEU . 38.6 t -91.17 104.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 1.97 109.29 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -98.28 109.94 22.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 2.09 109.293 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.616 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 61.3 p-90 -105.55 155.74 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.93 107.962 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.458 ' CG ' HG23 ' A' ' 94' ' ' THR . 0.1 OUTLIER -139.47 128.34 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 4.44 110.308 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.69 147.86 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 2.13 109.328 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.5 p -84.95 169.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 3.75 109.274 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.6 p -158.04 -47.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 6.5 109.941 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER 73.82 161.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 6.34 109.965 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 88' ' ' SER . 0.3 OUTLIER 75.83 -59.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 5.63 109.278 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.9 p -114.53 174.05 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 5.92 110.405 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -42.99 154.62 0.29 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 5.61 109.6 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.7 9.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 2.67 111.025 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.5 mm -113.95 139.61 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 3.85 109.26 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.458 HG23 ' CG ' ' A' ' 84' ' ' ARG . 71.4 p -131.04 168.48 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 2.09 110.39 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.521 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -168.69 160.5 34.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.72 111.031 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.52 150.88 37.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 1.29 110.0 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.7 100.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.95 109.312 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -85.69 137.95 32.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.76 110.367 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.87 152.9 33.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.427 1.079 . . . . 3.12 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -107.33 162.12 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 3.85 109.273 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.518 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 97.8 t -136.73 121.0 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.79 109.311 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 3.32 109.307 179.998 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.782 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . 12.8 m170 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.594 -0.521 . . . . 10.04 109.594 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.782 ' HD3' ' H3 ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.98 55.57 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 7.69 111.028 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -139.36 128.0 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 6.35 109.303 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' C ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.03 171.45 8.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.96 109.299 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' N ' HD23 ' A' ' 4' ' ' LEU . 47.8 t -54.03 -81.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.568 1.168 . . . . 2.44 109.353 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.447 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -145.42 142.78 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 1.02 109.994 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 72.9 p -155.98 167.66 29.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.54 109.972 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.544 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -135.85 57.31 18.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 1.93 110.446 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.94 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.55 110.966 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 1.67 109.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -42.41 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 3.29 110.295 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 33.37 60.8 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 1.22 111.048 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.36 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 2.67 109.978 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -101.78 128.92 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.22 110.318 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.03 -115.41 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 2.47 111.0 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 178.43 76.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 4.66 109.259 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 68.8 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 3.6 109.367 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 2.35 110.987 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 2.04 109.349 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 164.37 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 3.09 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -103.88 137.29 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.8 109.279 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 7' ' ' SER . 0.6 OUTLIER -104.9 149.01 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.67 110.354 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD11 HD11 ' A' ' 68' ' ' ILE . 13.8 mt -147.9 143.67 27.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 1.78 109.35 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 38.7 m-70 -141.26 165.79 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.89 109.564 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -155.39 102.66 2.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 3.4 110.975 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.0 t -69.44 -7.21 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 2.31 110.006 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.64 103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 3.91 110.351 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -176.69 -45.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 5.66 109.293 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER 38.99 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 6.94 109.359 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 34' ' ' SER . 41.7 t -39.02 -91.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 6.67 109.254 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 30' ' ' VAL . 2.4 t 35.75 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 5.77 110.437 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -141.05 -86.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 6.88 110.27 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -159.83 30.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 5.38 110.943 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.472 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 17.8 t -84.35 148.43 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 1.99 110.013 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.18 -166.37 27.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.93 111.056 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.51 160.16 40.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 0.794 . . . . 1.82 109.293 179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -154.9 128.03 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 3.52 109.33 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' HG ' ' CG1' ' A' ' 53' ' ' VAL . 7.8 tp -89.68 130.47 35.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.78 109.365 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 ' CG2' ' HG3' ' A' ' 80' ' ' LYS . 11.2 m -126.88 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 2.02 109.319 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -93.39 94.94 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 2.54 111.042 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 41' ' ' THR . 13.3 t -102.54 59.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 2.02 110.348 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 -41.19 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 2.13 109.32 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.76 100.17 21.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 5.36 111.021 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 65.37 6.1 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 6.16 110.968 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.27 48.43 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 6.87 111.017 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.1 mmm -131.94 62.57 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 6.72 110.993 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 46.09 30.24 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 6.7 110.315 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.5 t60 60.75 72.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 8.09 109.646 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 74.76 12.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 3.87 110.096 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.4 20.46 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.448 1.762 . . . . 2.59 110.956 -179.931 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtp -106.44 107.11 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 3.46 110.989 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 141.77 57.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.9 109.307 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 2.8 p -113.54 137.8 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 2.12 109.277 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.6 91.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 4.03 109.316 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -118.58 175.16 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 2.11 109.356 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.68 139.18 43.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 2.49 109.282 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -105.59 117.96 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 4.14 109.264 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -113.2 174.24 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 1.64 109.951 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.65 152.82 24.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 1.35 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.43 43.16 3.17 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.823 . . . . 2.21 111.041 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.16 -49.49 4.11 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.982 -0.847 . . . . 4.14 110.982 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.99 147.46 45.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 3.45 109.243 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 3.35 111.02 179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -24.5 16.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 3.57 109.321 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 m -104.17 117.08 33.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 2.21 110.36 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.408 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -122.79 151.25 41.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 2.5 111.003 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.16 118.15 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 2.84 109.291 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 HD11 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -88.53 123.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 2.36 109.359 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.4 101.36 13.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.91 110.409 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 1.02 110.922 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.02 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 2.44 109.328 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.88 147.49 33.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.19 109.998 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.65 10.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.438 1.757 . . . . 1.22 110.954 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.13 117.54 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 1.86 109.297 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -87.08 160.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.98 110.427 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -44.99 151.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 1.81 109.311 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.95 -160.53 23.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.108 . . . . 0.57 110.971 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 44.7 m -124.96 137.9 54.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.6 110.373 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 m-85 -141.36 173.31 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 3.07 111.015 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -153.49 120.41 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 3.58 109.319 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.6 t -84.96 107.48 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 2.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.39 118.26 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 2.32 109.324 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.605 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 19.2 p-90 -116.85 149.2 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.72 107.99 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.13 130.73 37.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 3.63 110.348 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.61 119.72 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.89 109.296 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.9 t -99.98 105.04 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 3.82 109.267 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 m -71.5 165.53 23.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 4.05 109.959 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.9 p -72.01 66.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 3.94 109.989 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -176.14 168.91 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 5.64 109.256 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 59.9 p -82.99 62.66 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 6.45 110.351 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -168.22 82.18 0.78 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 6.13 109.53 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.28 37.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 2.12 111.015 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 2' ' ' PRO . 4.8 mp -116.06 141.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 3.45 109.292 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.0 p -121.63 142.38 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 2.23 110.412 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.19 164.09 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.61 110.986 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.66 149.91 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 1.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.482 ' CG1' ' HG2' ' A' ' 9' ' ' PRO . 15.9 t -126.36 106.82 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 1.64 109.305 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.6 t -87.79 135.33 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.71 110.346 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.8 p90 -146.77 160.65 41.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 3.27 111.024 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 162.06 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 4.81 109.281 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 76' ' ' ALA . 17.0 t -145.53 112.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.93 109.277 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 3.15 109.362 179.937 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.584 -0.524 . . . . 10.83 109.584 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 109.39 2.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 5.55 110.98 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 5.2 109.289 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -53.3 173.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 1.82 109.242 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' N ' HD22 ' A' ' 4' ' ' LEU . 71.1 t -64.91 -84.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 1.84 109.354 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.432 ' N ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -133.89 150.4 51.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.69 109.98 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.423 ' CB ' HD22 ' A' ' 23' ' ' LEU . 79.9 p -157.31 165.38 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.49 110.035 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.524 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.8 m -136.9 58.3 18.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 1.66 110.384 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -64.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.782 . . . . 0.47 110.995 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 164.46 45.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 2.09 109.298 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.59 109.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 3.08 110.346 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.35 53.25 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 1.2 111.015 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.29 116.5 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 1.89 110.041 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -101.84 122.61 44.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 3.09 110.276 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.3 -87.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 2.14 110.97 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.871 ' HB2' ' OXT' ' A' ' 102' ' ' LYS . . . -177.47 -169.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 2.41 109.256 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -43.52 109.69 0.83 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 3.6 109.318 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -170.62 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 2.36 110.996 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.79 -71.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 1.93 109.33 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.72 150.83 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 3.62 109.339 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -86.56 145.86 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 1.55 109.335 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 tt0 -117.05 149.32 40.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 2.34 110.277 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.727 HD12 HD11 ' A' ' 68' ' ' ILE . 12.2 mt -147.85 143.72 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.65 109.322 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.532 ' CE1' ' OG1' ' A' ' 65' ' ' THR . 61.3 m-70 -134.55 156.97 47.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.71 109.646 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE1' HD11 ' A' ' 29' ' ' LEU . 6.5 m-85 -152.91 106.87 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 4.06 111.039 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -5.97 35.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 1.65 109.992 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -116.82 28.12 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 3.86 110.32 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLU . 4.4 t-20 61.44 143.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 4.62 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 25' ' ' PHE . 1.6 tt -115.87 54.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 9.57 109.328 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 1.1 t -41.72 142.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 4.75 109.357 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -96.86 61.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 5.02 110.43 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 4.5 tp60 -95.03 -44.72 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 5.25 110.256 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -148.85 20.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 4.97 110.957 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' HG ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -87.52 164.71 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 1.76 110.02 179.937 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.45 154.31 8.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.415 1.072 . . . . 1.32 111.006 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.66 160.26 39.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 1.85 109.313 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 3.03 109.309 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 79' ' ' TYR . 3.0 tp -93.86 137.96 32.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 2.05 109.329 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 38' ' ' LEU . 17.1 m -132.4 134.98 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 1.7 109.328 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 13.2 ttt -88.08 96.28 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 3.62 111.008 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -105.0 58.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.077 . . . . 2.08 110.415 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.19 -61.91 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 2.08 109.285 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.87 162.35 44.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 4.83 111.026 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 3.61 110.976 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.55 -57.83 1.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 4.75 111.015 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.4 75.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 6.37 111.069 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 51.28 65.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 6.41 110.331 -179.893 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.7 t60 65.48 77.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 6.64 109.593 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.79 75.58 42.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 2.75 110.054 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.9 12.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 1.99 110.962 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mmt -124.66 120.95 33.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 3.17 111.0 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.46 160.65 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 1.96 109.332 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.13 124.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 2.39 109.265 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -52.35 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 4.59 109.332 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -141.48 174.15 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 1.57 109.288 -179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.66 145.29 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 2.05 109.371 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -92.56 131.2 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 3.41 109.272 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.61 124.66 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.31 109.986 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -70.51 153.0 51.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.94 111.026 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.26 -143.09 7.11 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.998 -0.841 . . . . 1.94 110.998 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.33 -46.53 91.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 2.79 110.961 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -106.01 157.01 35.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 3.37 109.269 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.33 21.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 2.16 110.993 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -15.59 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 3.34 109.351 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.532 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.5 m -108.19 114.87 29.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 1.77 110.447 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.48 ' HE2' ' CD1' ' A' ' 29' ' ' LEU . 3.3 tpp -98.85 153.5 18.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 2.08 110.944 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -142.66 116.98 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.583 1.177 . . . . 2.73 109.288 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.727 HD11 HD12 ' A' ' 23' ' ' LEU . 1.1 mp -87.88 122.97 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 1.53 109.317 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.73 111.32 22.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 1.8 110.354 -179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.53 1.805 . . . . 0.63 111.065 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.41 -17.58 63.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 2.04 109.279 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 149.97 51.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.9 110.0 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.05 16.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.9 110.991 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.4 mt -73.05 115.19 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 2.1 109.279 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -84.68 165.65 17.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 1.82 110.376 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -50.28 131.92 24.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.73 109.265 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.2 -158.28 27.73 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.586 1.179 . . . . 0.98 111.039 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 17.0 m -129.94 138.33 50.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 1.76 110.383 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.7 m-85 -139.92 173.81 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 3.23 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 114.34 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 2.59 109.245 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 38' ' ' LEU . 64.9 t -85.48 110.24 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.84 109.289 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.32 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.87 109.337 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.597 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 24.3 p-90 -118.84 152.26 36.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.194 . . . . 0.61 107.949 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -142.51 120.43 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 4.83 110.365 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' HD13 ' A' ' 93' ' ' ILE . . . -113.28 118.0 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 1.9 109.309 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 50.2 t -100.81 86.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 3.99 109.283 -179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -49.18 6.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 3.32 110.025 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t 171.0 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 3.8 109.965 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -158.43 -156.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 5.85 109.26 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.9 m 47.33 55.08 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 6.7 110.459 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 43.3 m170 62.18 141.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 6.01 109.586 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 91' ' ' HIS . 18.6 Cg_endo -74.96 -171.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 2.12 111.036 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 85' ' ' ALA . 5.3 mt -123.56 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 4.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.5 p -89.13 148.29 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 2.08 110.399 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.37 158.74 30.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.55 111.028 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 160.48 40.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 0.757 . . . . 1.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.487 HG23 ' CG ' ' A' ' 9' ' ' PRO . 7.5 t -138.28 109.8 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.71 109.317 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.1 133.59 35.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 1.81 110.449 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -141.23 157.35 45.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 3.09 110.941 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -106.87 159.36 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 5.93 109.29 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 17' ' ' ALA . 48.9 t -140.3 114.92 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 1.96 109.247 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.871 ' OXT' ' HB2' ' A' ' 16' ' ' ALA . 5.9 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 2.82 109.329 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.763 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.618 -0.512 . . . . 11.4 109.618 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.763 ' HD2' ' H1 ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.11 55.44 4.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.436 1.756 . . . . 6.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.85 150.19 32.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 5.2 109.304 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.58 173.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 1.82 109.345 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.36 -78.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 2.06 109.277 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -144.4 151.77 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.69 110.019 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.434 ' CB ' HD21 ' A' ' 23' ' ' LEU . 59.4 p -156.48 165.24 36.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.37 109.99 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.9 m -138.68 60.51 19.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.8 110.425 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.98 -77.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.41 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.34 47.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 1.47 109.28 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -44.37 103.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 2.25 110.295 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.82 36.89 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.78 110.952 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.74 96.6 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.25 109.922 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.42 122.26 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.74 110.274 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -52.23 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 1.3 110.957 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.89 162.22 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 0.722 . . . . 2.05 109.271 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.95 140.39 73.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 2.58 109.318 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -74.97 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 3.16 110.965 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 18' ' ' PRO . . . 84.62 -48.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 3.06 109.278 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.04 27.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 4.41 109.243 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -108.98 147.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 1.81 109.324 -179.946 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -117.36 147.99 42.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.42 110.321 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 66' ' ' MET . 13.6 mt -148.11 144.81 28.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.75 109.308 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 59.6 m-70 -137.43 154.85 49.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.78 109.57 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -154.9 164.85 38.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 3.33 111.012 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 p -109.8 -16.88 13.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.5 109.956 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -154.68 31.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.453 1.096 . . . . 4.68 110.3 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 7.6 t30 -40.71 -79.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 5.01 109.292 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 39.7 79.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 6.9 109.349 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 34' ' ' SER . 66.0 t -56.33 -98.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.404 1.065 . . . . 6.6 109.284 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.404 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 1.8 m 49.5 50.38 18.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 5.26 110.419 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.77 -86.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.427 1.08 . . . . 6.33 110.227 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -159.42 26.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 5.11 111.023 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 11.1 t -84.41 141.79 30.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 1.83 110.016 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.5 176.26 46.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.86 110.973 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.55 163.47 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 1.75 109.353 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -155.69 128.77 8.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 3.35 109.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' CD1' HG21 ' A' ' 81' ' ' VAL . 59.0 tp -90.92 130.66 36.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 2.33 109.313 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -129.84 140.86 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 2.02 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.8 ttm -94.31 95.67 9.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 3.78 111.009 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -122.54 59.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 2.2 110.378 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.31 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 2.37 109.341 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.6 tpt -116.69 92.94 39.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 6.12 110.993 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.52 1.8 . . . . 4.66 111.038 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -34.86 1.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 4.08 111.027 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mmt -87.45 62.94 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 6.06 111.037 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.1 74.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 7.69 110.339 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.07 87.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 7.44 109.638 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.3 p -120.07 78.77 25.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 3.26 109.975 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 143.51 28.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.822 . . . . 2.14 110.936 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.3 mtp -110.61 104.92 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 4.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.12 138.6 25.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 1.86 109.255 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.36 158.06 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 1.86 109.291 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -79.93 99.47 7.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 5.98 109.276 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.59 174.86 10.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 1.64 109.343 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.13 144.99 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.84 109.364 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.17 127.13 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 3.32 109.308 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -136.25 128.99 30.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 1.44 109.963 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 167.04 54.65 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 1.31 111.06 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.69 65.21 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 2.74 110.963 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.52 -53.83 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.026 -0.829 . . . . 2.71 111.026 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 145.88 41.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 0.833 . . . . 3.75 109.295 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.85 20.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.59 110.985 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -23.15 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 2.9 109.24 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -93.59 116.07 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 1.87 110.432 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.477 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.08 147.18 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.91 110.987 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.3 t -145.41 114.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 2.67 109.317 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.413 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -84.7 117.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.62 109.224 -179.899 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.69 106.02 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 1.6 110.376 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 135.06 18.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.527 1.803 . . . . 0.59 111.077 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.99 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 1.63 109.322 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 151.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.1 110.06 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.09 17.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 1.12 111.027 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.4 mt -76.49 116.77 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 2.28 109.28 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -98.1 174.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 2.31 110.356 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.499 ' HA ' ' CG1' ' A' ' 101' ' ' VAL . . . -47.58 172.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 2.06 109.306 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.72 -146.02 18.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.94 110.999 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.43 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 1.2 m -154.03 135.98 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 1.76 110.411 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -138.79 174.43 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 3.48 111.013 -179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.61 114.72 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 3.15 109.31 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.457 HG21 ' CD1' ' A' ' 38' ' ' LEU . 16.3 t -85.23 118.57 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.83 109.302 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.75 129.82 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 1.78 109.32 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 1.625 ' HZ2' ' CZ3' ' A' ' 83' ' ' TRP . 49.4 p-90 -125.41 159.48 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.947 -1.131 . . . . 0.55 107.947 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -150.95 129.84 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 4.81 110.267 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.26 158.06 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 1.76 109.268 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.2 p -115.56 149.49 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 3.99 109.325 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -110.08 -50.33 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 4.54 109.969 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.29 -63.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 5.08 110.012 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -175.97 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 7.82 109.267 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 p -113.21 54.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 6.23 110.422 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -170.11 64.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 6.61 109.615 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.17 22.58 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.543 1.812 . . . . 2.31 110.964 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.97 101.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 3.83 109.263 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.9 p -84.67 175.03 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 2.1 110.429 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.465 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 176.82 148.42 7.1 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 0.91 111.002 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.49 148.83 44.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.95 110.02 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.44 HG22 ' CG ' ' A' ' 9' ' ' PRO . 2.6 t -131.48 107.78 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 1.85 109.272 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.9 t -86.05 141.62 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 1.74 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -149.84 146.79 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 3.33 111.016 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HZ1' HG21 ' A' ' 78' ' ' THR . 10.2 mttm -106.08 163.37 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 4.03 109.224 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.499 ' CG1' ' HA ' ' A' ' 76' ' ' ALA . 81.7 t -145.87 121.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 1.92 109.289 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 3.12 109.273 179.944 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.29 -0.634 . . . . 0.98999999999999999 109.29 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 93.9 t -55.49 -77.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.76000000000000001 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.531 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.9 146.51 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.76000000000000001 110.008 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.968 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.2 p -156.32 163.13 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.51000000000000001 110.004 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 8' ' ' THR . 2.1 m -136.23 59.03 24.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.39 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -73.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.42999999999999999 110.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.699 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -177.27 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.67000000000000004 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.6 OUTLIER -44.35 101.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 2.3599999999999999 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.0 41.35 6.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.79000000000000004 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.434 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.58 93.24 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 2.8799999999999999 109.964 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' CB ' ' HB2' ' A' ' 100' ' ' LYS . 11.2 mt-10 -107.85 129.17 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 2.6000000000000001 110.327 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.59 -44.32 0.99 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.3899999999999999 110.992 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.76 161.74 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 1.9199999999999999 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 138.38 55.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.5 109.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 1.3899999999999999 110.981 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.93 -53.63 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.71999999999999997 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -155.27 151.52 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 2.5499999999999998 109.334 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.68 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.48999999999999999 109.329 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -114.35 148.48 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.6200000000000001 110.293 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.83 144.28 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.45000000000000001 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.581 ' CD2' ' OG1' ' A' ' 65' ' ' THR . 45.1 m80 -141.15 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.87 109.62 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 3.1 m-85 -154.7 129.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 3.0699999999999998 110.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.4 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 1.55 109.986 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.052 -0.819 . . . . 1.0900000000000001 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.53 152.98 29.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.81999999999999995 109.317 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -155.01 125.04 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 2.3500000000000001 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG22 ' A' ' 81' ' ' VAL . 7.4 tp -95.45 134.03 38.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.62 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.5 m -129.77 132.23 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.66000000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.523 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -88.88 95.49 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 2.5299999999999998 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -111.05 63.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.93000000000000005 110.407 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' H ' ' HE2' ' A' ' 40' ' ' MET . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 2.1800000000000002 109.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.504 0.192 . . . . 2.4500000000000002 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.73 142.61 54.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.04 109.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.463 HG11 ' HG ' ' A' ' 38' ' ' LEU . 9.3 p -101.3 161.42 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.89000000000000001 109.258 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -84.02 86.19 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 3.2799999999999998 109.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -126.96 175.21 8.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.21 151.07 43.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.66000000000000003 109.249 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -109.17 125.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 2.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.8 m -141.32 132.95 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.1799999999999999 109.996 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.83999999999999997 111.021 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.33 -0.619 . . . . 2.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.581 ' OG1' ' CD2' ' A' ' 24' ' ' HIS . 1.1 m -118.37 122.29 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.73999999999999999 110.385 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.1 tpp -103.08 148.17 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.25 111.026 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 36.3 t -144.99 108.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 1.6200000000000001 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -86.54 125.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.59999999999999998 109.351 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.94 109.48 15.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.54000000000000004 110.387 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.04 18.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.441 1.759 . . . . 0.55000000000000004 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.69 -21.79 63.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.73999999999999999 109.322 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.99 152.3 46.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.93999999999999995 109.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.47 16.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.95999999999999996 111.021 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -75.65 116.08 15.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.71999999999999997 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.0 p -84.98 167.28 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.79000000000000004 110.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -51.21 164.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.80000000000000004 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.19 -149.0 17.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.1 . . . . 0.76000000000000001 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.468 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 70.5 m -132.49 138.97 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.97999999999999998 110.405 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 38' ' ' LEU . 9.0 m-85 -138.05 160.71 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.9199999999999999 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -132.87 117.59 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 2.79 109.312 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.872 HG22 HD13 ' A' ' 38' ' ' LEU . 47.1 t -97.61 100.55 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.58999999999999997 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.65 126.71 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 1.6200000000000001 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 37.9 p-90 -125.46 157.97 35.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.55000000000000004 108.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HG2' HG22 ' A' ' 94' ' ' THR . 7.0 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 4.6200000000000001 110.295 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.34 -0.615 . . . . 2.54 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 84' ' ' ARG . 58.3 p -109.32 147.49 32.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.81999999999999995 110.408 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.28 153.43 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.56000000000000005 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.77 143.82 45.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.738 . . . . 0.78000000000000003 109.994 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.735 HG21 ' HG2' ' A' ' 9' ' ' PRO . 70.0 t -125.84 99.6 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.58999999999999997 109.251 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.411 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.5 t -85.0 146.12 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.439 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 12.8 p90 -155.59 147.97 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.8400000000000001 110.964 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 14' ' ' GLU . 58.5 mtpt -102.01 163.07 12.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.4500000000000002 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.9 t -138.94 120.83 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 3.3399999999999999 109.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.297 -0.631 . . . . 0.88 109.297 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG21 ' H ' ' A' ' 26' ' ' SER . 72.8 t -53.39 -77.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.81000000000000005 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.58 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -152.21 146.47 25.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.68999999999999995 109.973 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 46.7 p -155.83 163.92 39.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.47999999999999998 110.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.479 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.6 m -138.09 60.57 23.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.59999999999999998 110.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.762 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.48999999999999999 111.017 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.19 44.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.44 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.15 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.6899999999999999 110.227 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 34.75 3.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 111.018 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.31 98.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 1.3500000000000001 109.978 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -111.55 123.7 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 1.99 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.17 -48.2 0.52 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 0.89000000000000001 110.948 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.94 167.56 12.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 1.72 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.5 130.64 85.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.3500000000000001 109.236 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.97 146.28 32.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 1.24 110.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.25 -57.69 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.78000000000000003 109.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -152.37 171.71 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.601 1.188 . . . . 2.9500000000000002 109.246 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -105.36 140.63 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.47999999999999998 109.281 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -113.95 147.5 38.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.8600000000000001 110.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.1 mt -147.47 144.0 28.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.9 m-70 -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.82999999999999996 109.673 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 19.9 m-85 -151.46 97.95 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 2.8599999999999999 110.965 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.1 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 2.1000000000000001 109.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.016 -0.834 . . . . 0.88 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.69 158.27 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.70999999999999996 109.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -154.91 118.55 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 3.1499999999999999 109.382 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 81' ' ' VAL . 5.7 tp -88.64 130.26 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.68999999999999995 109.259 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' N ' HD12 ' A' ' 38' ' ' LEU . 14.2 m -123.08 131.46 73.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.76000000000000001 109.315 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 3.5 tmm? -88.77 95.33 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 2.1800000000000002 110.97 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.68 60.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.1399999999999999 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.0699999999999998 109.279 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.57 0.224 . . . . 2.48 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.97 144.73 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.88 109.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -115.16 151.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.405 1.066 . . . . 0.92000000000000004 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 130.84 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 3.04 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.71 174.89 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.66000000000000003 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.48 144.43 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.65000000000000002 109.245 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 68' ' ' ILE . 6.0 m -111.3 125.79 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.8500000000000001 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -125.61 174.77 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.1200000000000001 110.031 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 1.05 111.02 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.328 -0.619 . . . . 3.4100000000000001 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -99.26 128.06 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 1.1000000000000001 110.464 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -126.4 155.05 42.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.8400000000000001 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -154.12 121.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.9099999999999999 109.273 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -95.88 128.93 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.72999999999999998 109.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.6 111.7 10.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.72999999999999998 110.423 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.24 18.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.64000000000000001 110.979 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.75 109.312 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -95.27 146.84 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.1000000000000001 110.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.72999999999999998 110.978 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.648 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.0 mt -77.67 116.33 18.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.60999999999999999 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.9 p -91.32 168.44 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.62 110.416 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.24 150.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.78000000000000003 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.16 -150.54 20.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.12 . . . . 0.56999999999999995 111.043 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 m -134.06 134.1 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.62 110.399 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.694 ' HB3' HD11 ' A' ' 38' ' ' LEU . 21.5 m-85 -138.09 159.66 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.75 111.012 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -131.63 118.58 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 3.0499999999999998 109.261 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.973 HG22 HD13 ' A' ' 38' ' ' LEU . 48.0 t -94.62 105.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.5 109.273 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 117.42 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 1.8500000000000001 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 31.9 p-90 -115.3 159.73 20.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.981 -1.118 . . . . 0.59999999999999998 107.981 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 94' ' ' THR . 1.3 mtp180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 3.79 110.283 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 2.6899999999999999 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 84' ' ' ARG . 18.1 p -88.45 151.88 22.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.73999999999999999 110.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.21 150.15 19.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.621 1.2 . . . . 0.52000000000000002 111.068 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.83 142.59 38.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.81000000000000005 109.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.762 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.3 t -126.16 110.85 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.42999999999999999 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.3 t -90.64 141.58 28.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.54000000000000004 110.411 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -153.97 147.59 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.71 111.011 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -103.82 167.21 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 3.54 109.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.2 t -142.31 119.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.5 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 3.2400000000000002 109.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.97999999999999998 109.307 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.448 HG21 ' H ' ' A' ' 26' ' ' SER . 38.4 t -55.86 -77.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.71999999999999997 109.33 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.611 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -147.9 150.49 34.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.79000000000000004 109.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.991 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.1 p -155.96 167.3 30.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 0.47999999999999998 109.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 8' ' ' THR . 15.3 m -140.23 58.37 10.59 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.76000000000000001 110.353 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.789 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.02 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.46999999999999997 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.45 45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.46999999999999997 109.308 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.532 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -43.03 110.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 2.3599999999999999 110.299 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.53 35.05 0.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.538 1.149 . . . . 0.81999999999999995 110.982 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.631 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.25 98.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 1.1699999999999999 110.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -106.21 119.88 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.7 110.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.85 -50.76 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.431 1.082 . . . . 0.85999999999999999 110.959 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.33 169.39 12.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 0.737 . . . . 1.71 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -67.9 137.33 92.38 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.3799999999999999 109.299 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.43 21.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.424 1.749 . . . . 1.3899999999999999 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.51 -51.33 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.92000000000000004 109.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 157.18 37.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 2.9300000000000002 109.282 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.551 HG23 ' HB3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -100.34 137.87 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.52000000000000002 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.9 tt0 -112.68 149.76 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.99 110.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.9 mt -147.64 143.54 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.41999999999999998 109.326 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.578 ' O ' HD23 ' A' ' 4' ' ' LEU . 55.9 m-70 -136.55 148.81 47.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.70999999999999996 109.603 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 11.7 m-85 -149.42 95.79 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 2.3700000000000001 111.043 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.1 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.51 109.982 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 1.04 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -155.08 159.89 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.94999999999999996 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.13 118.48 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 3.6400000000000001 109.313 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 74' ' ' LEU . 46.5 tp -85.68 137.76 32.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.28 109.298 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 80' ' ' LYS . 31.1 m -136.26 135.4 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.78000000000000003 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.9 ttt -98.21 96.6 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 1.71 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' THR . 10.3 t -109.89 59.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 1.05 110.419 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 2.4700000000000002 109.3 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.532 0.206 . . . . 4.2599999999999998 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -62.98 144.33 56.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.93999999999999995 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.6 p -130.03 155.86 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.24 109.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.55 134.63 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 3.8399999999999999 109.278 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -154.26 174.87 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.88 109.33 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.65 146.15 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.96999999999999997 109.292 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.526 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -117.03 121.76 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.9099999999999999 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -117.54 175.46 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.3600000000000001 110.007 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 1.3 111.038 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 2.2999999999999998 109.258 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -102.13 118.25 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.75 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.5 150.55 38.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.51 110.949 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -143.16 115.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 2.0899999999999999 109.203 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.607 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.5 mp -87.48 131.44 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.72999999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -141.05 100.38 6.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.67000000000000004 110.465 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.02 135.19 18.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.439 1.757 . . . . 0.77000000000000002 110.958 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.83 82.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.94999999999999996 109.323 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.98 139.89 88.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.27 109.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 1.01 110.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 38' ' ' LEU . 37.3 mt -79.92 116.89 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.66000000000000003 109.235 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 p -101.25 175.04 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.98999999999999999 110.415 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.27 163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.70999999999999996 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.66 -159.99 13.89 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.46 1.1 . . . . 0.64000000000000001 111.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 88.9 m -128.03 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.623 0.837 . . . . 0.88 110.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.6 m-85 -141.73 169.18 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.9099999999999999 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.94 114.82 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 2.8300000000000001 109.306 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.811 HG22 HD13 ' A' ' 38' ' ' LEU . 2.7 t -89.91 112.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.98999999999999999 109.337 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -95.09 124.04 38.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 2.4199999999999999 109.297 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 29.8 p-90 -120.4 157.49 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.66000000000000003 108.007 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.655 ' HG2' HG22 ' A' ' 94' ' ' THR . 3.6 mtp180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 3.1499999999999999 110.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.244 -0.65 . . . . 3.5800000000000001 109.244 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 84' ' ' ARG . 33.3 p -97.28 162.19 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.1000000000000001 110.473 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.55 157.41 29.12 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.486 1.116 . . . . 0.70999999999999996 110.951 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.12 150.1 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.95999999999999996 110.029 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 9' ' ' PRO . 52.4 t -132.14 102.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.58999999999999997 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.8 t -85.54 138.92 31.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.69999999999999996 110.443 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 43.3 p90 -148.93 152.42 36.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 1.8600000000000001 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -103.14 161.34 13.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 17' ' ' ALA . 96.2 t -138.17 118.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.53000000000000003 109.231 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 3.1099999999999999 109.271 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 1.0600000000000001 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.612 HG21 ' H ' ' A' ' 26' ' ' SER . 19.8 t -62.0 -83.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.81999999999999995 109.225 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.551 ' C ' HD21 ' A' ' 4' ' ' LEU . 2.2 m -137.08 153.13 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.58999999999999997 110.035 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.8 p -156.43 167.61 29.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.38 109.993 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 59.9 m -138.68 59.65 17.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.59999999999999998 110.368 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.901 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -63.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.42999999999999999 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 166.75 48.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.55000000000000004 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.19 108.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 3.1000000000000001 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 33.83 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.77000000000000002 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.588 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.85 99.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.23 109.941 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.66 120.67 43.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.75 110.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.6 -46.5 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.95999999999999996 110.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.14 167.42 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 0.729 . . . . 1.8300000000000001 109.356 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -71.59 138.34 83.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 1.47 109.276 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.49 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.0 129.62 12.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 1.55 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.81 -52.49 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 1.02 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 146.64 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 2.6299999999999999 109.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -89.04 138.86 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.44 109.31 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.4 tt0 -110.9 149.71 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 2.1299999999999999 110.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.67 144.6 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.57999999999999996 109.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 4' ' ' LEU . 76.8 m-70 -134.73 157.14 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.87 109.582 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.1 m-85 -154.68 114.58 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 2.29 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.612 ' H ' HG21 ' A' ' 5' ' ' VAL . 53.3 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.48 110.003 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.956 -0.857 . . . . 0.90000000000000002 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -139.6 158.5 44.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.65000000000000002 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.95 128.83 8.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 2.6299999999999999 109.236 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.051 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -96.81 142.68 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 0.71999999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.886 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.4 m -136.57 136.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.60999999999999999 109.287 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.4 tmm? -88.17 95.68 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.04 110.984 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -106.96 64.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.88 110.371 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.0499999999999998 109.285 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.54 0.209 . . . . 2.2200000000000002 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.25 145.02 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.78000000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 p -110.9 142.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.90000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -72.09 102.17 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 3.4500000000000002 109.315 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.41 174.59 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.65000000000000002 109.25 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.24 138.84 38.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.73999999999999999 109.29 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 68' ' ' ILE . 85.1 t -101.77 119.7 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.6600000000000001 109.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 67' ' ' VAL . 14.5 m -115.24 173.85 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.24 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 1.1499999999999999 111.058 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.275 -0.639 . . . . 2.04 109.275 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -98.76 134.16 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.96999999999999997 110.426 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.98 145.85 51.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 1.6000000000000001 110.986 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 58' ' ' SER . 2.7 m -145.09 117.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 2.0600000000000001 109.263 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -86.02 121.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.54000000000000004 109.212 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -132.84 95.78 18.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.77000000000000002 110.366 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.79 19.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.77000000000000002 111.011 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.47 82.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.92000000000000004 109.326 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.51 138.63 35.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.96999999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.02 15.97 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.828 . . . . 0.76000000000000001 110.992 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 29.7 mt -79.91 116.14 19.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -86.62 172.21 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.77000000000000002 110.42 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.49 171.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.77000000000000002 109.252 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.16 -152.64 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.67000000000000004 111.017 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.467 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -129.86 136.04 49.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 110.432 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -137.44 150.2 47.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 2.0099999999999998 111.016 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -132.58 114.93 14.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 2.3199999999999998 109.368 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.051 HG22 HD13 ' A' ' 38' ' ' LEU . 22.3 t -89.17 150.67 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 1.3100000000000001 109.241 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 64.7 m-20 -130.63 121.12 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 2.1600000000000001 109.224 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.9 p-90 -116.07 157.22 25.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.59999999999999998 108.03 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.328 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.246 -0.65 . . . . 3.04 109.246 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -119.3 167.6 11.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.05 110.449 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 177.59 156.74 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.569 1.168 . . . . 0.48999999999999999 111.001 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -142.13 158.71 43.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.81000000000000005 109.999 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.901 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -138.1 108.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.48999999999999999 109.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -89.95 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.46999999999999997 110.396 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 24.0 p90 -151.82 150.16 29.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 1.8400000000000001 110.987 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -100.94 168.2 9.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 2.6699999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.633 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.6 t -144.19 117.62 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.59999999999999998 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 3.8500000000000001 109.319 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.316 -0.624 . . . . 1.1100000000000001 109.316 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 ' H ' ' A' ' 26' ' ' SER . 85.2 t -57.1 -79.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.79000000000000004 109.372 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -145.3 151.83 38.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.56000000000000005 109.938 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 73.9 p -155.88 166.36 33.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.34000000000000002 110.0 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.514 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.0 m -136.71 58.9 21.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.83999999999999997 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.778 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.98 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.52000000000000002 111.03 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.48 46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.46999999999999997 109.352 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.55 107.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 2.1400000000000001 110.287 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.95 51.39 4.14 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.102 . . . . 0.81999999999999995 111.037 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -90.43 101.7 14.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.3 109.999 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.97 123.38 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.0099999999999998 110.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.02 -50.57 0.5 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.133 . . . . 1.1699999999999999 111.019 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.68 170.24 8.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 0.826 . . . . 1.95 109.242 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -90.47 136.34 28.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 1.72 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 1.2 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -50.6 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.80000000000000004 109.338 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 155.25 33.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 3.8700000000000001 109.288 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.76 145.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.41999999999999998 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 3.2 tt0 -113.97 148.48 36.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 2.4100000000000001 110.228 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.4 mt -148.52 142.77 26.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.5 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.48 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.8 m-70 -135.21 159.83 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.76000000000000001 109.607 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 19.9 m-85 -154.99 151.9 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 2.1299999999999999 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.426 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 1.7 109.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.972 -0.851 . . . . 0.91000000000000003 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 167.54 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 0.717 . . . . 0.81000000000000005 109.321 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -155.33 129.48 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 2.4500000000000002 109.344 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.084 HD13 HG22 ' A' ' 81' ' ' VAL . 21.0 tp -96.13 133.54 40.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' H ' HD12 ' A' ' 38' ' ' LEU . 13.0 m -122.38 139.77 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.59999999999999998 109.31 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.445 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.5 tmm? -93.95 96.68 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 2.2599999999999998 110.99 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' THR . 10.0 t -116.66 79.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.92000000000000004 110.407 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 2.04 109.258 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.503 0.192 . . . . 2.8799999999999999 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.72 149.4 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.82999999999999996 109.245 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 6.0 p -102.22 155.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.1100000000000001 109.335 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -87.91 84.36 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 3.2400000000000002 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -128.27 173.99 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.65000000000000002 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.63 149.66 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.84999999999999998 109.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -101.58 126.84 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 2.4700000000000002 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -132.27 136.88 47.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 1.3100000000000001 109.993 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.98999999999999999 110.998 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.3 -0.63 . . . . 2.1400000000000001 109.3 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -91.28 131.6 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0800000000000001 110.34 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.88 135.71 43.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.1599999999999999 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' SER . 2.7 m -134.24 123.69 44.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 2.04 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.68 120.4 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.46000000000000002 109.319 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.38 105.06 33.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.55000000000000004 110.38 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -75.05 134.89 18.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.47999999999999998 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.19 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.68000000000000005 109.264 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 150.01 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.76000000000000001 110.041 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.79 17.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.75 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 28.9 mt -81.56 116.33 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.59999999999999998 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -93.8 172.89 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.63 110.427 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.32 175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.82999999999999996 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.71 -153.17 17.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.68999999999999995 111.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m -134.77 134.19 40.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.81999999999999995 110.35 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.639 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.3 m-85 -132.9 167.14 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.9299999999999999 110.961 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 116.78 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.7200000000000002 109.318 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.084 HG22 HD13 ' A' ' 38' ' ' LEU . 24.3 t -90.98 104.19 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.58999999999999997 109.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.0 115.65 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.0699999999999998 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.5 p-90 -112.8 154.94 25.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.46000000000000002 108.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.486 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.8 mtm105 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 3.3199999999999998 110.244 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.315 -0.624 . . . . 2.6800000000000002 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 84' ' ' ARG . 40.2 p -115.54 140.69 48.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.81000000000000005 110.413 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -149.33 162.24 28.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.56000000000000005 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.42 143.88 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 109.984 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.778 HG11 ' HG2' ' A' ' 9' ' ' PRO . 24.2 t -130.58 97.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.40000000000000002 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.6 t -84.56 139.41 32.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.65000000000000002 110.402 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.0 p90 -152.61 149.26 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.8 110.94 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -99.78 166.69 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -145.65 116.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.69999999999999996 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.8399999999999999 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.23 -0.655 . . . . 1.0600000000000001 109.23 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -57.02 -78.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.70999999999999996 109.251 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -146.17 151.93 38.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.71999999999999997 110.02 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.938 ' HB2' HD23 ' A' ' 23' ' ' LEU . 22.3 p -157.37 164.31 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.44 110.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.487 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.9 m -135.47 60.08 35.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.59999999999999998 110.419 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.711 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.40999999999999998 111.01 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 179.03 43.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.38 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.98 109.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.2400000000000002 110.299 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.68 38.37 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.79000000000000004 111.045 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.619 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.86 96.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 1.1899999999999999 109.908 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -102.66 125.16 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.8100000000000001 110.298 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.36 -45.97 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.95999999999999996 110.974 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.03 162.22 15.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 1.96 109.319 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -87.59 140.79 31.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 1.8400000000000001 109.351 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.782 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 150.2 38.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.48 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -43.93 91.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.90000000000000002 109.292 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.88 147.78 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.1699999999999999 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -86.31 140.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.40999999999999998 109.307 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 mt-10 -110.4 146.98 34.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.95 110.328 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.86 144.69 28.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.45000000000000001 109.359 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.0 m-70 -136.41 155.74 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.60999999999999999 109.584 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 52.8 m-85 -154.84 103.48 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.0499999999999998 111.074 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.55 110.025 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.983 -0.847 . . . . 1.28 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.27 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.70999999999999996 109.26 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -155.18 128.67 8.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 2.54 109.294 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.052 HD13 HG22 ' A' ' 81' ' ' VAL . 7.0 tp -96.52 131.91 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.68000000000000005 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.665 ' N ' HD12 ' A' ' 38' ' ' LEU . 7.7 m -127.54 134.24 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.81000000000000005 109.279 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -87.54 90.68 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 1.8400000000000001 110.959 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.66 60.0 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.01 110.357 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 2.75 109.241 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.477 0.179 . . . . 2.2400000000000002 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.93 145.59 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.1899999999999999 109.282 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.78 136.12 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.1299999999999999 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -61.94 96.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 3.5099999999999998 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.99 174.84 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.56999999999999995 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.66 139.5 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.65000000000000002 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.642 HG22 HG13 ' A' ' 68' ' ' ILE . 84.8 t -97.31 124.6 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -139.66 133.12 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.96999999999999997 109.974 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 110.993 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.3 pttt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 2.5499999999999998 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.7 m -113.06 123.41 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.76000000000000001 110.396 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 mpp? -106.88 150.89 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 1.1200000000000001 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -144.7 114.94 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 1.5800000000000001 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.53 118.73 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.55000000000000004 109.342 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -119.01 111.11 37.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.87 110.419 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 134.92 18.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.79000000000000004 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.6 -25.96 62.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 157.01 47.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.1699999999999999 110.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 130.63 13.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.77000000000000002 110.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.5 mt -76.56 116.13 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.63 109.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 p -85.18 170.83 12.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.72999999999999998 110.367 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.545 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.6 178.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.76000000000000001 109.351 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.99 -147.38 16.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.52000000000000002 111.081 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.6 m -133.34 140.28 47.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.83999999999999997 110.39 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -139.97 160.83 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 2.0299999999999998 110.985 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 115.64 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 2.9199999999999999 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.052 HG22 HD13 ' A' ' 38' ' ' LEU . 43.9 t -94.98 106.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.64000000000000001 109.335 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 123.35 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.8899999999999999 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CH2' ' HA3' ' A' ' 95' ' ' GLY . 21.2 p-90 -120.41 157.71 28.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.65000000000000002 108.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.455 ' HG2' HG22 ' A' ' 94' ' ' THR . 13.0 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 4.9100000000000001 110.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.336 -0.616 . . . . 2.5299999999999998 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 84' ' ' ARG . 70.8 p -91.99 154.04 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.89000000000000001 110.407 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -174.22 156.07 22.71 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.82 158.67 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 1.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.711 HG11 ' HG2' ' A' ' 9' ' ' PRO . 71.9 t -135.4 101.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.64000000000000001 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -86.82 143.13 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.77000000000000002 110.366 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.0 p90 -152.93 158.16 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.73 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -109.61 164.86 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 3.7599999999999998 109.32 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 17' ' ' ALA . 68.1 t -142.65 122.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.5 109.31 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.5899999999999999 109.275 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.314 -0.624 . . . . 0.92000000000000004 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.783 HG21 ' H ' ' A' ' 26' ' ' SER . 99.2 t -57.76 -81.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.66000000000000003 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.561 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -141.22 145.49 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.62 110.047 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 51.5 p -156.21 163.43 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.37 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -138.84 59.54 16.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.75 110.359 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.764 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.09 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.42999999999999999 110.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.29 44.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.42999999999999999 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.43 105.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.0699999999999998 110.237 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.39 35.73 2.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.78000000000000003 111.031 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.55 98.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.77 . . . . 1.29 110.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.52 119.93 40.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.8700000000000001 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.19 -55.32 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.87 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.07 173.37 5.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 1.6699999999999999 109.315 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -68.63 128.57 92.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.3999999999999999 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.8 36.43 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.397 1.735 . . . . 1.1299999999999999 110.964 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 -64.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.01 109.312 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -153.82 156.32 37.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 2.5299999999999998 109.33 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.02 140.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.41999999999999998 109.275 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -116.87 147.68 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 2.29 110.347 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.5 mt -147.5 145.31 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.42999999999999999 109.287 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.586 ' O ' HD23 ' A' ' 4' ' ' LEU . 58.5 m-70 -139.52 156.94 46.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.67000000000000004 109.569 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 93.3 m-85 -154.57 115.09 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 2.3999999999999999 111.017 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.783 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.5 110.023 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 0.89000000000000001 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.44 160.22 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.62 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.64 126.32 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 3.3700000000000001 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 81' ' ' VAL . 15.5 tp -93.47 141.43 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.79000000000000004 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.741 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.7 m -135.88 137.11 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.60999999999999999 109.247 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -90.85 96.96 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.9299999999999999 110.957 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -108.12 59.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.82999999999999996 110.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 2.0 109.259 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.44 0.162 . . . . 2.4399999999999999 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.55 148.18 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.78000000000000003 109.258 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -110.16 169.42 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.80000000000000004 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.6 mttt -94.73 113.78 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 3.29 109.305 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -146.95 172.99 12.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.57999999999999996 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.17 143.87 40.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.279 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HG13 ' A' ' 68' ' ' ILE . 12.5 m -107.71 125.8 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 1.8100000000000001 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 4.0 m -134.96 148.73 50.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.96999999999999997 111.036 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 pttt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.26 -0.644 . . . . 2.0499999999999998 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -90.16 130.3 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.421 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -127.39 148.83 50.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.3999999999999999 111.05 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -151.15 120.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 2.1099999999999999 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.932 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -91.46 127.29 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.5 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.625 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.07 99.21 13.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.81999999999999995 110.356 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.08 18.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.67000000000000004 111.011 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.71 66.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 1.24 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.33 137.83 22.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.87 109.931 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.01 13.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.89000000000000001 110.993 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 24.0 mt -74.9 117.62 16.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.78000000000000003 109.289 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.1 p -84.44 168.57 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.68000000000000005 110.41 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.752 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.72 156.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.69999999999999996 109.231 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.28 -154.19 20.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.53000000000000003 110.996 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.4 m -130.99 135.97 48.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.724 . . . . 0.67000000000000004 110.334 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.8 m-85 -141.03 163.2 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 2.1499999999999999 111.029 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 47.3 pttt -136.36 119.6 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 3.3599999999999999 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 38' ' ' LEU . 29.7 t -90.68 105.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 109.346 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.58 111.16 22.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.6200000000000001 109.336 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.1 p-90 -109.12 158.69 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.53000000000000003 108.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 3.5800000000000001 110.287 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.327 -0.62 . . . . 2.6099999999999999 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.9 p -85.73 140.21 30.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.79000000000000004 110.4 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.01 162.0 29.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.47999999999999998 110.955 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -150.38 144.48 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.93999999999999995 110.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.764 HG21 ' HG2' ' A' ' 9' ' ' PRO . 41.2 t -128.12 106.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.135 . . . . 0.45000000000000001 109.366 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 t -87.45 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.55000000000000004 110.403 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.82 152.05 32.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.8200000000000001 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -104.0 165.57 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 2.29 109.336 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 76' ' ' ALA . 77.6 t -144.2 114.18 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.47999999999999998 109.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 3.1200000000000001 109.262 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 83' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.63 . . . . 1.5700000000000001 109.3 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 11.7 t -55.36 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.82999999999999996 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 153.26 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.66000000000000003 109.973 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.971 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.3 p -156.57 168.33 27.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.41999999999999998 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.534 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 25.9 m -141.91 57.81 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.54000000000000004 110.387 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.76 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -58.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.56000000000000005 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.5 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.41999999999999998 109.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -43.95 106.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 2.4700000000000002 110.311 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.63 38.51 1.54 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.72999999999999998 111.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.2 94.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.014 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.46 128.14 54.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.9299999999999999 110.268 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.43 -43.34 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.1299999999999999 110.953 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.7 161.56 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 1.8300000000000001 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.06 139.23 49.29 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.51 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 1.5700000000000001 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 -53.32 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.68999999999999995 109.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -154.69 157.84 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 2.9900000000000002 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.9 138.92 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.55000000000000004 109.271 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -113.23 149.09 34.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 1.6000000000000001 110.28 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.971 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.8 mt -148.43 143.71 26.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.45000000000000001 109.385 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -136.09 149.26 48.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.59999999999999998 109.601 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' HD23 ' A' ' 4' ' ' LEU . 8.1 m-85 -154.93 121.54 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 2.5099999999999998 111.017 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.49 109.947 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.981 -0.848 . . . . 1.3400000000000001 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.29 173.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 1.1399999999999999 109.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -155.23 131.6 10.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 2.7999999999999998 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -96.39 138.48 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.729 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.0 m -136.01 142.7 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.72999999999999998 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -91.96 96.46 10.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.74 110.988 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' THR . 9.3 t -117.98 59.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.88 110.441 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.387 1.054 . . . . 1.8999999999999999 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.583 0.23 . . . . 2.7599999999999998 110.957 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.31 140.76 58.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.083 . . . . 0.97999999999999998 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.5 138.48 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 1.1799999999999999 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.16 100.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 4.1399999999999997 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.97 172.69 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 109.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.88 149.37 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.68000000000000005 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 HG13 ' A' ' 68' ' ' ILE . 3.0 m -104.54 130.85 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.8400000000000001 109.235 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -144.56 133.02 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.22 110.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.84999999999999998 110.945 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 1.8500000000000001 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -107.21 124.92 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.89000000000000001 110.395 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.18 147.19 27.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.3799999999999999 111.074 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 59.8 t -141.86 114.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 1.78 109.38 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.682 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -92.48 122.77 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.58999999999999997 109.32 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.25 111.13 23.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.65000000000000002 110.392 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.63 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.43 -25.27 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.77000000000000002 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.78 150.3 38.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.88 109.951 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 130.98 13.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.83999999999999997 111.041 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.3 mt -76.63 115.36 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.612 1.195 . . . . 0.81000000000000005 109.355 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -99.07 169.43 9.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.1599999999999999 110.395 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.756 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.04 157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.79000000000000004 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.21 -147.81 18.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.59999999999999998 111.007 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.44 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 2.2 m -154.23 134.1 13.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 110.395 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -136.27 175.07 9.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 1.95 110.965 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.54 113.96 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 2.4100000000000001 109.352 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 38' ' ' LEU . 38.8 t -85.12 107.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.63 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.38 117.85 30.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 2.0499999999999998 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 54.3 p-90 -112.34 154.55 25.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.81999999999999995 107.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 3.5299999999999998 110.286 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.634 . . . . 2.3999999999999999 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -121.13 150.53 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 1.02 110.393 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.568 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -159.2 160.11 30.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.67000000000000004 111.038 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.04 142.37 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.0900000000000001 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.76 HG11 ' HG2' ' A' ' 9' ' ' PRO . 84.9 t -128.2 103.31 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.68000000000000005 109.362 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -85.24 145.19 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.63 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -155.31 147.43 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.9199999999999999 110.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -102.94 167.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.4300000000000002 109.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.756 HG12 ' HA ' ' A' ' 76' ' ' ALA . 96.4 t -143.34 121.65 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.63 109.308 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 2.4700000000000002 109.288 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.618 . . . . 1.25 109.33 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.637 HG21 ' H ' ' A' ' 26' ' ' SER . 6.2 t -51.8 -76.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.3999999999999999 109.313 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.598 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -153.33 150.99 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.91000000000000003 109.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.5 p -156.85 166.52 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.58999999999999997 109.986 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 m -137.09 58.34 17.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.81000000000000005 110.411 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.91 -74.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.37 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.35 43.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.47999999999999998 109.331 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -41.58 107.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 2.2599999999999998 110.272 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.28 34.17 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.525 1.141 . . . . 0.76000000000000001 110.999 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.97 100.33 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 1.24 110.014 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -105.45 118.7 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.99 110.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.53 -50.13 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.94 173.76 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 0.808 . . . . 1.9099999999999999 109.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -81.15 134.43 52.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.55 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 163.87 34.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 1.23 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.41 -51.58 35.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.81000000000000005 109.294 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 149.02 25.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 2.9100000000000001 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.83 142.22 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.40999999999999998 109.349 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -114.66 149.22 37.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 2.48 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -148.32 145.3 28.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.63 109.36 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.591 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.8 m-70 -138.62 150.36 46.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.82999999999999996 109.557 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 80.7 m-85 -154.93 123.06 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 2.9300000000000002 110.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.637 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 2.4500000000000002 110.02 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.96 -0.856 . . . . 1.3200000000000001 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 68' ' ' ILE . . . -153.87 149.56 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 1.1200000000000001 109.335 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -154.41 111.5 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 3.1699999999999999 109.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -92.38 138.89 31.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.78000000000000003 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.739 ' H ' HD12 ' A' ' 38' ' ' LEU . 30.2 m -134.51 141.37 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.82999999999999996 109.251 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.3 96.48 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.3599999999999999 111.036 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -112.17 60.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.05 110.391 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.2400000000000002 109.318 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.1 mtp . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.557 0.218 . . . . 4.0599999999999996 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.73 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -87.53 152.53 22.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.01 109.273 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.66 162.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -87.3 105.1 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.7400000000000002 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -139.25 169.22 18.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.65000000000000002 109.276 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.02 138.48 43.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.63 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -102.19 123.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 2.02 109.288 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -123.06 175.34 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.0800000000000001 109.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 1.04 111.043 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 pttt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.302 -0.629 . . . . 2.4700000000000002 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -90.87 134.61 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.21 110.382 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.81 151.08 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.6000000000000001 111.019 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -151.81 124.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.8100000000000001 109.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -94.08 120.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.55000000000000004 109.35 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.646 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.8 95.54 39.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.68999999999999995 110.45 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.98 135.8 19.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.67000000000000004 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.02 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.80000000000000004 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.39 138.17 22.5 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.1599999999999999 110.051 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.84 12.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.529 1.805 . . . . 0.92000000000000004 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 23.4 mt -76.15 116.25 16.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0700000000000001 109.373 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -86.29 168.13 14.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0600000000000001 110.451 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.73 165.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.01 109.268 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.14 -148.49 17.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.92000000000000004 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.1 m -137.15 131.52 32.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 0.716 . . . . 1.2 110.416 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.0 m-85 -134.58 171.43 14.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 2.0499999999999998 110.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 120.5 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 2.4700000000000002 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 38' ' ' LEU . 34.5 t -95.92 119.04 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.57999999999999996 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -101.63 117.58 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 2.2999999999999998 109.302 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.0 p-90 -110.98 157.01 20.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.98999999999999999 107.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 3.29 110.294 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.326 -0.62 . . . . 3.2000000000000002 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 p -118.43 148.11 42.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.1000000000000001 110.398 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.23 154.77 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.397 1.061 . . . . 0.91000000000000003 111.054 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.85 152.91 48.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 1.02 109.964 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 t -141.13 105.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.52000000000000002 109.287 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 t -88.08 138.88 31.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.68999999999999995 110.416 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -148.62 153.52 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.8999999999999999 110.969 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.56 166.3 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 2.8199999999999998 109.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.9 t -143.8 116.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.76000000000000001 109.343 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 2.6200000000000001 109.313 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.238 -0.653 . . . . 1.01 109.238 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.739 HG21 ' H ' ' A' ' 26' ' ' SER . 92.8 t -59.32 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.79000000000000004 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -142.71 148.12 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.60999999999999999 109.998 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.823 ' CB ' HD23 ' A' ' 23' ' ' LEU . 37.4 p -157.22 163.76 38.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.5 110.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.491 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 23.6 m -136.88 59.9 26.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.81999999999999995 110.369 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 -78.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.53000000000000003 111.024 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 44.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.58999999999999997 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.12 108.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.8700000000000001 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.18 36.96 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 1.1200000000000001 111.029 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.66 98.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 1.3300000000000001 109.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.06 121.61 43.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.48 110.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.45 -56.5 0.31 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.112 . . . . 1.1200000000000001 111.009 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.45 173.57 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 1.8100000000000001 109.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 130.7 85.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.4299999999999999 109.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 161.19 39.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.818 . . . . 1.1699999999999999 110.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.76 -59.99 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.90000000000000002 109.278 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -155.31 150.47 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 3.6000000000000001 109.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.598 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.77 139.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.75 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.1 tt0 -113.68 147.17 38.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.5 110.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 7' ' ' SER . 9.6 mt -146.99 141.65 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.63 109.245 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -133.43 157.24 46.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.59999999999999998 109.567 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 6.4 m-85 -155.44 120.53 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 2.46 111.016 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.739 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 1.49 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.92000000000000004 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.661 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.16 160.61 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.91000000000000003 109.272 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 129.37 8.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 2.8700000000000001 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.87 HD13 HG23 ' A' ' 81' ' ' VAL . 15.8 tp -89.88 138.06 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.83999999999999997 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.597 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.8 m -136.59 134.36 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.02 109.337 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.553 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.6 tmm? -86.14 92.4 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 2.7599999999999998 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.607 HG21 ' NZ ' ' A' ' 80' ' ' LYS . 8.7 t -117.99 59.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.5900000000000001 110.38 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 2.6099999999999999 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.489 0.185 . . . . 2.46 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.82 48.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.24 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -118.56 148.91 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.1799999999999999 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.97 105.05 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.2300000000000004 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.63 174.14 10.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0900000000000001 109.296 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.94 139.16 45.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.26 109.247 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.67 123.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 2.4700000000000002 109.342 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.924 ' HB2' HG23 ' A' ' 67' ' ' VAL . 23.5 m -111.25 173.02 6.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 1.8999999999999999 109.979 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 1.3200000000000001 110.984 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.34 -0.615 . . . . 1.97 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 m -90.96 126.98 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.87 110.355 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -125.3 149.36 48.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 1.3799999999999999 110.968 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.924 HG23 ' HB2' ' A' ' 58' ' ' SER . 0.1 OUTLIER -142.33 113.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.99 109.285 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -84.68 120.56 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.65000000000000002 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.72 101.92 12.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.82999999999999996 110.385 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.9 136.29 20.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.68999999999999995 110.986 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.79 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.29 109.269 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.07 144.13 27.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.24 109.957 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.48 10.76 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 1.1899999999999999 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.7 mt -68.55 116.02 8.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.79000000000000004 109.242 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -86.2 174.26 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.481 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.699 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.84 164.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0800000000000001 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.82 -151.84 17.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.94999999999999996 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.507 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 m -146.46 132.26 19.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.89000000000000001 110.387 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -136.2 170.4 16.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 2.3700000000000001 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.607 ' NZ ' HG21 ' A' ' 41' ' ' THR . 2.1 pttt -139.72 120.59 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 4.2400000000000002 109.283 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.87 HG23 HD13 ' A' ' 38' ' ' LEU . 3.4 t -86.57 109.63 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0700000000000001 109.35 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.53 122.07 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.6499999999999999 109.268 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.1 p-90 -118.61 158.02 26.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.69999999999999996 107.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.4 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 3.02 110.284 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.489 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 2.7 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.303 -0.628 . . . . 2.8599999999999999 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 84' ' ' ARG . 71.0 p -85.32 142.66 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.90000000000000002 110.377 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.565 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -167.35 149.91 15.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.68999999999999995 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -135.91 152.49 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 0.812 . . . . 1.5900000000000001 110.006 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.724 HG11 ' HG2' ' A' ' 9' ' ' PRO . 16.5 t -122.85 112.08 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.66000000000000003 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 t -89.82 136.76 32.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.81000000000000005 110.363 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.9 p90 -147.76 154.62 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 1.8 111.027 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' CD ' ' OG1' ' A' ' 78' ' ' THR . 10.1 mttt -105.99 166.08 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.9500000000000002 109.242 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 76' ' ' ALA . 56.7 t -147.8 113.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.93999999999999995 109.302 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 3.0099999999999998 109.31 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.53 ' CB ' ' CH2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.322 -0.621 . . . . 1.53 109.322 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 ' H ' ' A' ' 26' ' ' SER . 55.2 t -51.57 -69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.67000000000000004 109.295 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -153.77 156.07 37.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.93999999999999995 110.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.892 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.6 p -156.72 169.04 25.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.48999999999999999 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -137.51 57.09 13.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.98999999999999999 110.393 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.973 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -74.97 -67.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.51000000000000001 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.72 44.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.53000000000000003 109.252 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.54 104.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 110.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.79 35.04 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.575 1.172 . . . . 0.92000000000000004 111.07 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.45 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.62 100.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 1.5600000000000001 109.993 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -111.26 117.31 32.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.8300000000000001 110.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.59 -39.66 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.91000000000000003 111.061 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.36 161.79 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 1.78 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -80.01 137.98 53.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.6799999999999999 109.308 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 135.68 19.55 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 1.5800000000000001 111.027 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.81 -47.98 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0900000000000001 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.84 156.46 40.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 3.0699999999999998 109.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -93.04 145.08 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.5 109.218 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' OE2' ' NE2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -112.91 151.69 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 2.8399999999999999 110.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -147.32 144.2 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 59.7 m-70 -133.89 157.48 45.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.1200000000000001 109.58 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' CE1' HD23 ' A' ' 4' ' ' LEU . 36.1 m-85 -155.46 104.86 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 2.25 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.518 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 2.0899999999999999 109.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.88 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.36 174.87 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.1699999999999999 109.341 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mtpt -155.87 132.18 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 3.8300000000000001 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 39' ' ' VAL . 9.3 tp -99.8 140.93 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 1.0700000000000001 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -136.0 132.53 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 1.1299999999999999 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.562 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.47 97.37 10.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 2.0499999999999998 110.973 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 41' ' ' THR . 11.5 t -102.67 59.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 1.3999999999999999 110.398 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.281 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 8.7 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.522 0.201 . . . . 3.54 111.027 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.71 140.6 29.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.27 109.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.48 HG11 HD23 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.6 158.2 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.3600000000000001 109.27 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -91.09 128.88 37.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 6.4199999999999999 109.276 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -152.82 173.83 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 1.04 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.84 148.17 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.77000000000000002 109.326 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.753 HG12 HG13 ' A' ' 68' ' ' ILE . 12.6 m -113.51 121.14 65.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 1.8 109.332 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -119.9 175.37 5.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.22 110.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 1.1699999999999999 110.922 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.293 -0.632 . . . . 3.1400000000000001 109.293 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -107.24 124.28 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.92000000000000004 110.375 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.526 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.47 155.99 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.27 110.993 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.36 122.7 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 1.79 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.819 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -93.1 124.89 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.56000000000000005 109.26 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -127.96 101.22 23.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.69999999999999996 110.381 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.08 135.16 18.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.84999999999999998 110.967 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.56 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0600000000000001 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -76.75 144.51 73.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 1.8799999999999999 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.563 1.823 . . . . 1.72 110.978 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.35 116.59 22.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.76000000000000001 109.31 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.7 p -100.75 167.96 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.59999999999999998 110.401 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.13 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.62 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.88 -152.32 16.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.398 1.061 . . . . 0.52000000000000002 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.487 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.3 m -135.46 134.82 39.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 0.783 . . . . 0.72999999999999998 110.359 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -138.77 158.69 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.8600000000000001 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' A' ' 96' ' ' SER . 1.6 tttp -134.3 111.61 10.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.6299999999999999 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.573 ' CG2' HD13 ' A' ' 38' ' ' LEU . 29.5 t -85.69 111.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.76000000000000001 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.58 117.26 33.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.3999999999999999 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.8 p-90 -104.7 141.03 37.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.76000000000000001 108.04 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 94' ' ' THR . 2.4 mpt_? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 3.54 110.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.242 -0.651 . . . . 3.7599999999999998 109.242 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 84' ' ' ARG . 77.0 p -115.38 167.63 10.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 1.21 110.411 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.3 174.44 29.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.82999999999999996 111.027 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.45 ' CB ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -146.18 144.72 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 0.711 . . . . 1.3999999999999999 109.994 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.973 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -133.44 101.32 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.57999999999999996 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 t -84.75 142.07 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.84999999999999998 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 26.5 p90 -158.17 146.55 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 1.75 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -97.18 171.09 8.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 2.54 109.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 76' ' ' ALA . 32.0 t -142.51 124.95 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.68000000000000005 109.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.3500000000000001 109.292 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.1 tm? . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.3 -0.63 . . . . 1.51 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 26' ' ' SER . 53.6 t -55.52 -66.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.93999999999999995 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -155.81 150.67 26.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 1.01 109.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.917 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.4 p -156.96 166.01 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.69999999999999996 109.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 8' ' ' THR . 7.3 m -137.64 59.33 19.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.1200000000000001 110.457 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.833 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.05 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.72999999999999998 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 47.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.57999999999999996 109.248 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -42.54 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.3700000000000001 110.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.53 34.32 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 1.01 110.961 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.627 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 m -69.71 98.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 1.1599999999999999 110.026 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 28.7 mt-10 -109.04 122.51 47.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 1.8899999999999999 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.85 -46.4 0.62 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 1.1100000000000001 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.56 162.32 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 1.7 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.52 137.32 36.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 1.4399999999999999 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.458 1.767 . . . . 1.3899999999999999 111.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.92 -50.28 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.276 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 157.63 37.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 3.48 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.75 139.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.48999999999999999 109.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.6 mt-10 -109.29 147.7 32.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 2.75 110.296 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.917 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.4 mt -147.55 141.05 25.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -133.45 150.93 51.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0900000000000001 109.607 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 14.1 m-85 -155.53 128.04 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 2.2999999999999998 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.444 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 1.6200000000000001 110.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 1.55 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -154.97 172.95 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 1.1399999999999999 109.369 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -155.48 128.62 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 3.9700000000000002 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 ' H ' ' A' ' 39' ' ' VAL . 7.3 tp -90.23 141.89 28.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.75 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.767 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.9 m -138.51 133.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.81000000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.8 ttm -91.72 97.9 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 2.79 111.032 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 41' ' ' THR . 9.8 t -113.83 59.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.93000000000000005 110.411 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.685 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 3.0800000000000001 109.286 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.3 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 2.21 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 138.91 45.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.93999999999999995 109.256 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.4 p -106.09 168.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.83999999999999997 109.339 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.5 mttp -91.83 93.34 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 4.2800000000000002 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.89 175.32 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.59999999999999998 109.332 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.31 154.62 46.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.67000000000000004 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.9 127.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.8899999999999999 109.272 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -140.56 130.96 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.26 110.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.541 1.15 . . . . 1.1899999999999999 111.009 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 pttt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.301 -0.629 . . . . 2.6600000000000001 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -100.16 129.25 46.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.25 110.423 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.514 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.83 154.27 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.46 111.037 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -146.15 119.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.75 109.28 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -93.18 122.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.46999999999999997 109.368 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.31 110.07 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.55000000000000004 110.415 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.94 135.46 19.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.62 111.077 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.86 -20.7 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.88 109.349 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 152.58 42.23 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.1 . . . . 0.85999999999999999 109.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.61 16.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.90000000000000002 110.972 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.9 116.16 22.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.93000000000000005 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 p -101.83 166.44 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0600000000000001 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.757 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.64 154.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.95999999999999996 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.93 -155.55 22.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.985 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.685 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.6 m -141.33 130.08 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.91000000000000003 110.456 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.62 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.7 m-85 -134.27 175.11 9.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.394 1.059 . . . . 1.75 110.952 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.24 115.62 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 2.52 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.41 HG22 HD13 ' A' ' 38' ' ' LEU . 52.6 t -85.16 106.67 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.65000000000000002 109.362 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -93.95 110.08 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 2.3700000000000001 109.228 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 50.2 p-90 -105.76 154.22 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.045 -1.095 . . . . 0.83999999999999997 108.045 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 3.5800000000000001 110.363 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 93' ' ' ILE . 5.8 mm . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.337 -0.616 . . . . 4.1299999999999999 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 p -118.81 168.83 10.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 1.1399999999999999 110.439 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -168.89 160.58 34.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.421 1.075 . . . . 0.76000000000000001 111.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.77 140.77 22.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 1.1499999999999999 110.018 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.833 HG11 ' HG2' ' A' ' 9' ' ' PRO . 20.2 t -128.12 103.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.57999999999999996 109.351 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -84.45 141.43 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.71999999999999997 110.379 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -152.83 149.02 27.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.9099999999999999 111.044 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.4 mtpt -104.19 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 2.9199999999999999 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 76' ' ' ALA . 73.0 t -144.29 122.09 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.60999999999999999 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 2.4700000000000002 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.95999999999999996 109.281 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.748 HG21 ' H ' ' A' ' 26' ' ' SER . 65.1 t -58.95 -80.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.78000000000000003 109.318 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.33 149.9 38.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.81000000000000005 110.012 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.916 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.3 p -156.24 165.08 37.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.52000000000000002 110.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.518 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m -137.87 58.58 16.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.1299999999999999 110.374 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.799 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.91 -63.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.53000000000000003 111.083 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 167.65 46.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.68000000000000005 109.3 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.7 OUTLIER -44.72 110.99 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 3.23 110.294 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 35.24 3.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 111.001 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.737 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -69.69 93.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 1.3799999999999999 110.031 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.39 122.84 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 2.1000000000000001 110.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.92 -47.16 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.93000000000000005 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.03 166.4 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 1.74 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.93 137.72 79.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.3700000000000001 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.92 29.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 1.3600000000000001 110.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -53.46 55.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.70999999999999996 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.32 146.7 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 3.3199999999999998 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.3 143.2 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.46000000000000002 109.318 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.3 tt0 -117.33 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 1.5900000000000001 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.5 mt -147.47 145.08 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 109.361 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.473 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.9 m-70 -137.23 158.84 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.55 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 29.8 m-85 -155.0 108.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.21 110.999 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.748 ' H ' HG21 ' A' ' 5' ' ' VAL . 42.5 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.8400000000000001 110.003 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.05 -0.82 . . . . 1.02 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.99 153.43 51.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.64000000000000001 109.314 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -151.71 124.18 8.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 3.5600000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.985 HD13 HG22 ' A' ' 81' ' ' VAL . 10.9 tp -96.42 129.52 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.93999999999999995 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -124.79 136.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.68000000000000005 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.0 ttm -86.64 96.38 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 2.2200000000000002 110.929 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 t -103.83 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 1.0700000000000001 110.461 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.314 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 2.2999999999999998 110.986 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 148.78 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.1799999999999999 109.242 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.53 123.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.3200000000000001 109.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -56.44 104.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 3.6000000000000001 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -135.27 169.62 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.63 109.236 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.41 143.24 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.70999999999999996 109.29 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -99.09 127.24 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 2.02 109.339 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -140.95 135.36 31.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0600000000000001 109.976 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 1.1599999999999999 110.943 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 pttm . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.236 -0.653 . . . . 2.77 109.236 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.456 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.1 m -108.79 120.87 43.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.64000000000000001 110.405 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.469 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.52 159.85 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.49 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -149.87 120.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.8200000000000001 109.271 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.31 120.0 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.53000000000000003 109.218 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.87 110.79 33.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.545 1.153 . . . . 0.62 110.387 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.32 18.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.51000000000000001 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.69 -23.61 61.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.88 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.4 148.35 38.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.79000000000000004 109.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 128.54 11.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.72999999999999998 110.946 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.779 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.5 mt -77.18 115.57 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.70999999999999996 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -90.72 173.59 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.84999999999999998 110.408 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -46.91 163.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.76000000000000001 109.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -154.58 16.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.68000000000000005 110.938 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.585 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.6 m -127.91 143.49 51.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.75 110.404 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.798 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -143.52 156.73 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 2.0299999999999998 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.79 117.37 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.0699999999999998 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.985 HG22 HD13 ' A' ' 38' ' ' LEU . 52.1 t -97.24 101.07 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.56000000000000005 109.275 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -88.19 126.64 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.6899999999999999 109.253 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.51 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 20.5 p-90 -123.9 157.37 34.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.48999999999999999 108.064 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 4.1 mtm105 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 3.96 110.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.336 -0.616 . . . . 2.9199999999999999 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.8 p -88.55 152.67 21.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 1.23 110.397 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -177.25 160.09 26.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.58999999999999997 111.026 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.5 156.3 41.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.804 . . . . 0.79000000000000004 109.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' HG2' ' A' ' 9' ' ' PRO . 57.4 t -131.68 102.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.66000000000000003 109.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.473 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.9 t -85.81 142.26 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.56000000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -152.16 153.77 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 1.79 110.98 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -107.78 161.68 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 2.5800000000000001 109.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.731 HG13 ' N ' ' A' ' 17' ' ' ALA . 47.8 t -135.23 121.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 2.75 109.296 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.34 -0.615 . . . . 0.87 109.34 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG21 ' H ' ' A' ' 26' ' ' SER . 92.5 t -57.69 -83.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.75 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -134.45 149.55 50.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.448 1.093 . . . . 0.54000000000000004 109.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.9 p -157.34 165.45 35.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.40999999999999998 109.96 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.509 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.8 m -138.22 59.21 17.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.52000000000000002 110.384 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.809 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.07 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.42999999999999999 110.96 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . -177.5 44.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.271 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.51 107.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 3.6299999999999999 110.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.94 36.16 1.79 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.427 1.079 . . . . 0.87 111.012 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.657 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.52 96.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 1.23 110.017 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.64 124.88 52.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 2.2400000000000002 110.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.52 -43.01 1.04 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.448 1.093 . . . . 1.0600000000000001 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.14 161.59 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 1.8 109.351 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -83.76 136.25 42.11 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 1.47 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.99 152.55 40.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 1.24 111.025 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.13 25.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -155.2 153.35 30.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 2.6299999999999999 109.258 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -85.15 142.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.45000000000000001 109.262 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -117.21 150.62 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.74 110.257 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.59 143.55 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.48999999999999999 109.266 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -133.45 156.02 48.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.68999999999999995 109.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 5.7 m-85 -153.53 118.79 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 2.5699999999999998 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.668 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.54 109.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.986 -0.846 . . . . 0.77000000000000002 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -150.69 162.04 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.60999999999999999 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -155.29 128.71 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.343 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 81' ' ' VAL . 9.6 tp -98.75 143.09 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.67000000000000004 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.845 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -136.2 138.09 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.91000000000000003 109.327 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.37 96.95 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.4300000000000002 111.019 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.4 t -111.06 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.22 110.369 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 2.0299999999999998 109.301 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.51 0.195 . . . . 2.8399999999999999 111.005 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.78 143.84 24.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.92000000000000004 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.2 p -111.72 150.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.93000000000000005 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 93.59 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 4.4100000000000001 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -135.02 174.4 10.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.75 109.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.66 138.53 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.63 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.92 130.43 45.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 1.9399999999999999 109.218 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 m -119.7 175.27 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.6599999999999999 109.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.168 . . . . 1.6799999999999999 110.971 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.349 -0.611 . . . . 2.3399999999999999 109.349 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -91.2 119.37 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.05 110.375 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.709 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.9 mpp? -113.16 152.76 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.49 110.946 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.36 109.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.8700000000000001 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -85.11 123.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.58999999999999997 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.559 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.65 105.94 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.56999999999999995 110.415 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.39 19.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.52000000000000002 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.55 87.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.03 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.4 150.02 38.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.1699999999999999 109.968 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 128.12 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 1.0800000000000001 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.3 mt -70.47 116.83 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -88.89 174.3 8.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.84999999999999998 110.416 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.8 178.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.84999999999999998 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.05 -147.71 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.80000000000000004 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.727 HG23 ' HG2' ' A' ' 100' ' ' LYS . 97.2 m -140.86 143.36 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.737 . . . . 1.1000000000000001 110.354 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.4 m-85 -144.98 161.79 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.8799999999999999 110.887 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -137.45 114.25 10.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 2.1600000000000001 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.947 HG22 HD13 ' A' ' 38' ' ' LEU . 40.0 t -85.48 152.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.6200000000000001 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -135.09 123.52 23.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.9299999999999999 109.371 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.584 ' HZ3' HG22 ' A' ' 93' ' ' ILE . 44.3 p-90 -117.37 157.42 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.57999999999999996 107.977 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HG2' HG22 ' A' ' 94' ' ' THR . 4.8 mpp_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.584 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 35.1 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.255 -0.646 . . . . 2.5699999999999998 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.557 HG22 ' HG2' ' A' ' 84' ' ' ARG . 67.9 p -130.45 147.65 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.71999999999999997 110.466 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 159.75 32.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.58999999999999997 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -138.06 154.3 49.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.96999999999999997 109.969 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.809 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -131.66 111.0 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.68999999999999995 109.228 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -90.28 142.86 27.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.62 110.415 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.7 p90 -157.57 148.63 21.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.95 111.052 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.727 ' HG2' HG23 ' A' ' 78' ' ' THR . 6.7 mtmt -107.47 168.89 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 2.8100000000000001 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 16' ' ' ALA . 57.8 t -143.8 127.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.68000000000000005 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 2.52 109.326 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.299 -0.63 . . . . 0.82999999999999996 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 6' ' ' SER . 20.4 t -56.56 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.68000000000000005 109.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.554 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -143.63 149.88 37.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.5 110.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.933 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.8 p -157.56 166.32 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.35999999999999999 110.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m -136.74 58.19 18.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.79000000000000004 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.715 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.64000000000000001 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.42 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.70999999999999996 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -50.06 109.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 2.6400000000000001 110.297 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.34 56.28 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.3300000000000001 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.49 129.27 54.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 2.3500000000000001 109.959 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -101.39 137.19 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 4.21 110.358 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -156.39 -117.63 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 1.97 110.975 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.19 84.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 4.5199999999999996 109.303 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.574 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 65.51 90.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 2.9199999999999999 109.315 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -74.92 -172.09 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 2.2200000000000002 111.001 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.72 -71.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.82999999999999996 109.333 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 152.27 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 2.71 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -85.08 145.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.62 109.294 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.01 148.13 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.9300000000000002 110.252 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.6 mt -148.9 147.09 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.471 1.107 . . . . 0.47999999999999998 109.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 4' ' ' LEU . 50.6 m-70 -138.62 152.51 48.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.53000000000000003 109.606 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 74.0 m-85 -150.56 96.13 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 2.2200000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.0499999999999998 110.012 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.955 -0.858 . . . . 0.97999999999999998 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -153.75 164.03 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.68000000000000005 109.263 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 123.98 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 2.6299999999999999 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 74' ' ' LEU . 8.4 tp -86.98 140.49 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.256 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -139.23 132.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.51 1.131 . . . . 0.84999999999999998 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -84.76 94.35 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 3.3199999999999998 110.992 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 41' ' ' THR . 9.9 t -119.51 59.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.4199999999999999 110.373 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.6499999999999999 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.512 0.196 . . . . 2.29 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -47.51 142.19 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 1.25 109.269 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.8 p -108.04 167.4 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 1.02 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -86.35 81.9 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 3.9500000000000002 109.356 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -122.13 174.78 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.67000000000000004 109.281 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.11 143.0 26.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.80000000000000004 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG12 HG13 ' A' ' 68' ' ' ILE . 33.4 m -100.61 130.08 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.299 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -140.06 133.53 30.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.1899999999999999 110.022 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 1.0800000000000001 111.002 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.303 -0.629 . . . . 1.95 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -110.15 125.1 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.75 110.437 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.481 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.9 149.77 28.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.946 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 75.0 t -144.82 115.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 1.76 109.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.773 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.13 119.78 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.31 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.77 101.15 20.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.5 110.399 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 137.21 21.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.62 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.55 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.69999999999999996 109.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.85 142.47 25.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.611 1.194 . . . . 0.80000000000000004 110.002 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 134.95 18.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.761 . . . . 0.93000000000000005 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 38' ' ' LEU . 24.5 mt -66.95 116.13 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.1000000000000001 109.348 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ALA . 45.5 p -87.56 160.26 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 1.1100000000000001 110.404 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.57 140.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.1799999999999999 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.57 -154.66 22.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.75 111.004 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.551 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -135.8 143.06 45.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 0.92000000000000004 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 m-85 -143.35 175.22 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 2.1099999999999999 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 125.69 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 2.5099999999999998 109.244 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 38' ' ' LEU . 89.2 t -96.32 113.16 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.57999999999999996 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.76 113.03 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.79 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -108.51 161.12 15.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 0.46999999999999997 107.981 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 94' ' ' THR . 6.1 mtp-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 5.8399999999999999 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.4 pt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.342 -0.614 . . . . 3.1299999999999999 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 84' ' ' ARG . 72.3 p -93.08 150.85 20.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.81000000000000005 110.394 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.533 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -154.71 155.5 26.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.35 147.51 39.92 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 0.744 . . . . 0.88 110.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 9' ' ' PRO . 46.3 t -136.59 103.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.55000000000000004 109.28 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.1 t -86.44 137.21 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.63 110.329 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 19.7 p90 -144.76 157.22 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.0099999999999998 110.976 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -103.65 164.85 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 3.0800000000000001 109.34 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 5.0 t -148.11 115.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0900000000000001 109.248 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.6 mmtt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 2.9100000000000001 109.316 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.299 -0.63 . . . . 1.05 109.299 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.741 HG21 ' H ' ' A' ' 26' ' ' SER . 79.3 t -54.21 -79.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.593 1.183 . . . . 0.85999999999999999 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.415 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -148.55 144.75 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.77000000000000002 110.005 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 23' ' ' LEU . 60.4 p -155.92 165.37 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.35999999999999999 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 56.4 m -137.18 57.83 16.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.55000000000000004 110.367 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -62.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.45000000000000001 110.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.43 47.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.40999999999999998 109.247 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -42.17 107.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 2.1200000000000001 110.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.59 37.28 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.78000000000000003 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.421 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -73.15 100.55 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 1.21 109.998 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.85 119.95 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 2.29 110.222 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.34 -49.72 0.4 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.413 1.071 . . . . 1.1100000000000001 111.026 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.46 172.58 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 1.8899999999999999 109.265 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.02 134.98 42.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 1.51 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.71 12.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 1.1799999999999999 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.15 -53.91 11.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.71999999999999997 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 151.24 29.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 2.48 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.76 139.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.44 109.29 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 tt0 -110.9 148.13 33.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.8600000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.21 143.12 27.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.486 1.116 . . . . 0.56000000000000005 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.563 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 53.8 m-70 -140.26 158.68 43.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.81000000000000005 109.567 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 17.2 m-85 -155.24 110.57 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 2.1600000000000001 111.06 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.741 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.6 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.8899999999999999 109.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.0 -0.84 . . . . 0.98999999999999999 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.29 153.9 31.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.71999999999999997 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -152.31 124.15 7.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 2.79 109.264 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 39' ' ' VAL . 5.0 tp -95.33 129.9 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.73999999999999999 109.303 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.731 ' N ' HD12 ' A' ' 38' ' ' LEU . 33.6 m -124.58 138.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.68000000000000005 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.7 tmm? -93.0 95.58 9.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 2.23 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.5 t -115.05 73.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.03 110.41 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 2.23 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.561 0.219 . . . . 3.0299999999999998 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.33 151.4 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.94999999999999996 109.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.6 p -105.41 165.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.277 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -88.51 100.74 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 3.6200000000000001 109.233 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -147.5 172.2 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.81999999999999995 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.03 141.58 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.66000000000000003 109.342 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.0 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.98 109.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.4 m -131.59 138.34 48.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.03 109.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.56 1.163 . . . . 0.96999999999999997 111.001 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 2.8399999999999999 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -107.58 133.68 51.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.05 110.413 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -133.32 147.64 51.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.55 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -146.33 117.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.8899999999999999 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.503 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -86.22 126.93 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.53000000000000003 109.265 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -128.68 111.61 19.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.58999999999999997 110.424 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 134.67 18.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.53 1.805 . . . . 0.78000000000000003 111.074 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.64 -21.67 59.32 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.549 1.155 . . . . 0.77000000000000002 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.25 156.88 45.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 110.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.32 12.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.789 . . . . 0.87 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.5 mt -76.18 115.96 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.70999999999999996 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 p -85.3 163.34 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.1599999999999999 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.88 109.33 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.01 -153.15 17.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.76000000000000001 111.012 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 69.5 m -131.27 140.17 49.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.88 110.4 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -139.98 168.55 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 1.99 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -140.64 122.49 15.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 2.8599999999999999 109.35 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.586 HG22 HD13 ' A' ' 38' ' ' LEU . 94.3 t -98.48 101.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.64000000000000001 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.1 120.25 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 1.8899999999999999 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.499 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.0 p-90 -116.93 159.09 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.54000000000000004 108.072 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HG2' HG22 ' A' ' 94' ' ' THR . 86.5 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 3.2799999999999998 110.37 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.256 -0.646 . . . . 3.3199999999999998 109.256 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 84' ' ' ARG . 44.4 p -122.85 138.24 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.96999999999999997 110.441 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.499 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.38 163.12 31.87 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.70999999999999996 111.021 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.86 156.8 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 1.1899999999999999 109.983 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.763 HG11 ' HG2' ' A' ' 9' ' ' PRO . 21.4 t -131.44 110.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.52000000000000002 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.46 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 14.0 t -88.7 141.32 28.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.68000000000000005 110.399 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.1 p90 -151.01 149.93 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.9099999999999999 110.964 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -102.76 166.27 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 5.3099999999999996 109.218 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.7 t -144.94 112.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.70999999999999996 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 2.7999999999999998 109.311 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.302 -0.629 . . . . 0.92000000000000004 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.43 -78.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.284 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -144.82 149.86 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.67000000000000004 110.027 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.931 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.4 p -157.38 163.26 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.44 109.967 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.3 m -136.93 58.67 19.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.57999999999999996 110.347 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.805 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.578 1.83 . . . . 0.54000000000000004 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.656 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -176.12 46.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.47999999999999998 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.08 108.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 2.73 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.98 38.46 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.71999999999999997 111.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.48 94.5 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.56 0.8 . . . . 1.3 110.001 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.96 124.58 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.3799999999999999 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.15 -56.98 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 0.91000000000000003 111.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -164.63 172.86 12.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 1.74 109.25 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.74 135.22 71.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.3799999999999999 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.03 162.57 36.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 1.1299999999999999 110.931 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.49 5.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.82999999999999996 109.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 151.63 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.4399999999999999 109.331 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.97 133.07 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.47999999999999998 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE2' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -107.52 147.76 30.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 4.6699999999999999 110.34 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.931 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -147.31 143.88 28.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.48999999999999999 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.419 ' O ' HD23 ' A' ' 4' ' ' LEU . 53.3 m-70 -135.55 156.04 49.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.488 1.118 . . . . 0.63 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 38.3 m-85 -154.97 93.51 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.0499999999999998 110.986 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.8799999999999999 109.983 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.039 -0.824 . . . . 0.79000000000000004 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.89 159.8 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.72999999999999998 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -154.87 124.77 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 2.5600000000000001 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.076 HD13 HG22 ' A' ' 81' ' ' VAL . 12.3 tp -94.33 138.16 32.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.60999999999999999 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.687 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.1 m -138.07 137.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.70999999999999996 109.243 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.0 ttt -93.81 97.98 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.3399999999999999 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.88 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.94999999999999996 110.382 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 2.0 109.286 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.538 0.208 . . . . 2.3300000000000001 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.53 149.18 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.77000000000000002 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.92 146.23 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.83999999999999997 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.8 120.16 15.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 4.1600000000000001 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -144.04 175.24 10.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.63 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.87 141.16 49.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.92000000000000004 109.225 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 68' ' ' ILE . 2.7 m -119.1 123.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 2.0499999999999998 109.333 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.4 m -140.35 175.73 9.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.5800000000000001 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.80000000000000004 111.018 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.234 -0.654 . . . . 3.2000000000000002 109.234 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.41 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.3 m -114.78 120.09 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.68000000000000005 110.395 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.99 161.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.29 110.997 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.474 HG23 ' C ' ' A' ' 66' ' ' MET . 95.8 t -155.59 117.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.5700000000000001 109.331 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -95.86 132.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.65000000000000002 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.9 109.2 9.94 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.48999999999999999 110.427 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.5 Cg_endo -74.95 134.62 18.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.46000000000000002 111.074 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.41 -26.9 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.67000000000000004 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.42 146.44 32.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.77000000000000002 109.94 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.52 11.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.78000000000000003 110.956 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -77.07 116.13 17.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.66000000000000003 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.2 p -89.6 174.92 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.85999999999999999 110.442 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -45.73 167.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.72999999999999998 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 -154.48 16.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.57999999999999996 111.066 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 m -138.69 137.52 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.616 0.833 . . . . 0.81000000000000005 110.364 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.9 m-85 -136.82 163.76 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.95 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 113.54 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 2.1400000000000001 109.329 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.076 HG22 HD13 ' A' ' 38' ' ' LEU . 33.9 t -91.83 104.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 124.1 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 1.8799999999999999 109.186 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.611 ' HE1' HG23 ' A' ' 97' ' ' VAL . 23.4 p-90 -117.94 159.84 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.60999999999999999 108.029 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 2.8900000000000001 110.287 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.302 -0.629 . . . . 2.7400000000000002 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.4 p -125.56 138.17 53.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.92000000000000004 110.336 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -164.62 163.15 36.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.64000000000000001 110.933 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -141.65 166.02 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.758 . . . . 1.3600000000000001 110.036 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.805 HG21 ' HG2' ' A' ' 9' ' ' PRO . 65.2 t -136.88 111.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.66000000000000003 109.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 t -93.37 139.75 30.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.59999999999999998 110.402 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -143.24 153.94 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 110.978 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -110.36 157.53 19.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 2.5699999999999998 109.253 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 76' ' ' ALA . 98.2 t -138.35 117.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.70999999999999996 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 3.2799999999999998 109.253 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.292 -0.632 . . . . 0.95999999999999996 109.292 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.79 HG21 ' H ' ' A' ' 26' ' ' SER . 64.8 t -57.73 -81.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.67000000000000004 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.504 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -140.17 146.62 39.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.63 110.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.954 ' HB2' HD23 ' A' ' 23' ' ' LEU . 68.1 p -156.31 166.07 34.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.40000000000000002 109.944 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 93.5 m -136.98 58.82 19.54 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.55000000000000004 110.401 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.01 -65.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.457 1.767 . . . . 0.44 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.22 45.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.46999999999999997 109.248 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -47.82 107.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 2.25 110.305 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.25 51.27 2.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.98999999999999999 111.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.49 116.49 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 1.78 109.981 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -105.23 124.22 49.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.78 110.347 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.19 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 1.1299999999999999 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' C ' HG13 ' A' ' 101' ' ' VAL . . . -173.39 -165.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 2.04 109.231 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -52.79 107.94 0.97 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.464 1.103 . . . . 2.96 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 2.2000000000000002 111.046 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.09 -72.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.89000000000000001 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 159.35 39.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 1.09 . . . . 2.3500000000000001 109.304 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.47999999999999998 109.251 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -112.75 149.89 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.4399999999999999 110.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.7 mt -147.23 142.66 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 56.2 m-70 -137.53 159.78 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.70999999999999996 109.556 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 51.3 m-85 -155.95 141.0 17.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 2.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.79 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.5 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.5700000000000001 110.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.95 -0.86 . . . . 0.80000000000000004 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -151.88 168.8 23.97 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.545 0.791 . . . . 0.77000000000000002 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -155.06 127.77 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 2.3599999999999999 109.275 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.869 HD12 ' H ' ' A' ' 39' ' ' VAL . 6.3 tp -96.03 142.55 28.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.68999999999999995 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.869 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -139.03 132.95 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.69999999999999996 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.9 ttt -85.89 97.36 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 2.1899999999999999 111.055 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 41' ' ' THR . 12.2 t -108.68 59.59 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.80000000000000004 110.43 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.0699999999999998 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.5 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.194 . . . . 3.6400000000000001 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.45 130.15 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.75 109.25 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -96.54 157.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.84999999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -82.35 98.05 8.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 4.8200000000000003 109.262 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.42 175.2 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.65000000000000002 109.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.2 140.69 24.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.64000000000000001 109.327 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.3 128.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 2.1200000000000001 109.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -132.62 126.96 33.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.21 109.984 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 1.21 111.035 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.304 -0.628 . . . . 2.3300000000000001 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -100.8 129.91 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.66000000000000003 110.44 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.507 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.2 mpp? -120.42 160.83 22.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.5 110.944 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 66' ' ' MET . 87.4 t -153.63 115.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.6599999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -87.5 123.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.53000000000000003 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.35 110.88 17.93 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.56000000000000005 110.371 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.07 135.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.57999999999999996 110.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -22.94 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.7 152.4 51.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 1.1499999999999999 110.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 134.46 17.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 1.1399999999999999 110.953 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.68 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 27.8 mt -70.98 116.98 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.84999999999999998 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -84.79 158.29 20.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.81000000000000005 110.404 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.71 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -43.72 143.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.90000000000000002 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.86 -155.13 24.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.455 1.097 . . . . 0.52000000000000002 111.025 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.697 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 47.5 m -132.45 136.84 46.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.62 110.449 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.862 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -136.73 162.52 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.97 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.46 117.48 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.1499999999999999 109.369 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG22 HD13 ' A' ' 38' ' ' LEU . 97.0 t -93.9 99.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.5 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.65 109.01 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.269 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.8 p-90 -107.26 161.15 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.51000000000000001 108.033 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 94' ' ' THR . 56.4 mtm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 4.0199999999999996 110.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.631 . . . . 3.0299999999999998 109.295 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 84' ' ' ARG . 57.8 p -110.04 148.95 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.76000000000000001 110.459 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.39 158.96 29.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.44 110.982 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.82 154.29 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.70999999999999996 109.97 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.735 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.6 t -140.01 101.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.45000000000000001 109.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 6.2 t -85.98 134.55 33.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.52000000000000002 110.383 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.68 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 3.8 p90 -140.95 149.5 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.8400000000000001 111.005 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -103.95 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 2.2599999999999998 109.307 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.1 t -141.07 112.51 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.55000000000000004 109.289 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 2.52 109.307 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.245 -0.65 . . . . 0.87 109.245 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.734 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -59.43 -83.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.67000000000000004 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.411 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -142.73 146.91 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.52000000000000002 110.084 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.821 ' HB2' HD23 ' A' ' 23' ' ' LEU . 49.4 p -156.52 163.81 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.35999999999999999 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -136.73 59.36 23.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.63 110.385 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.412 1.743 . . . . 0.45000000000000001 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.29 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.118 . . . . 0.39000000000000001 109.351 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.12 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 2.9700000000000002 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.78 36.59 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.69999999999999996 111.032 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.82 93.83 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.24 110.037 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.54 125.09 50.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.97 110.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -49.7 0.59 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.567 1.167 . . . . 1.04 110.976 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 168.18 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 1.8200000000000001 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -86.04 136.87 35.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.48 109.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 -168.06 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 1.48 110.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.37 -52.08 5.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.77000000000000002 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 157.58 37.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 2.9500000000000002 109.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.94 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.42999999999999999 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.55 147.13 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 1.6599999999999999 110.366 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -146.97 144.41 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.46000000000000002 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.1 m-70 -140.23 143.87 36.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.56000000000000005 109.641 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -147.31 130.07 16.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 2.1099999999999999 111.025 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.734 ' H ' HG21 ' A' ' 5' ' ' VAL . 51.8 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 3.2799999999999998 109.975 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.054 -0.818 . . . . 0.82999999999999996 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -141.44 169.7 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.81000000000000005 109.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.38 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 4.8899999999999997 109.273 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 39' ' ' VAL . 4.0 tp -93.01 134.2 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.60999999999999999 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.776 ' N ' HD12 ' A' ' 38' ' ' LEU . 27.8 m -131.31 135.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.67000000000000004 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.2 tmm? -87.08 94.01 9.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.8100000000000001 111.025 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -117.85 59.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0800000000000001 110.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 2.0699999999999998 109.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.509 0.195 . . . . 3.29 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -71.18 143.37 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.73999999999999999 109.324 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.4 p -107.29 169.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.21 96.56 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 4.5800000000000001 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -136.13 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.67000000000000004 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.68000000000000005 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.672 HG12 HG13 ' A' ' 68' ' ' ILE . 3.7 m -108.34 124.65 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 1.8100000000000001 109.224 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 m -138.32 132.44 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.1699999999999999 110.003 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.81000000000000005 111.0 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.35 -0.611 . . . . 2.6299999999999999 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -114.4 132.39 56.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.75 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.489 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.19 146.36 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.6100000000000001 111.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.27 113.13 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.6399999999999999 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.672 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -90.09 121.96 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.47999999999999998 109.266 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -126.6 107.83 23.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.56000000000000005 110.372 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 136.3 20.13 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.548 1.815 . . . . 0.56999999999999995 110.992 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.49 72.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.80000000000000004 109.352 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.89 149.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.84999999999999998 109.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.78000000000000003 110.938 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -75.76 117.27 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.79000000000000004 109.299 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.0 p -96.96 162.81 13.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.88 110.402 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.21 156.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.76000000000000001 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.08 -149.78 19.84 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.566 1.166 . . . . 0.57999999999999996 110.983 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.3 m -147.57 132.46 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 0.824 . . . . 0.83999999999999997 110.388 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.1 m-85 -137.61 175.3 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 2.02 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.43 115.59 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1600000000000001 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 38' ' ' LEU . 47.9 t -84.85 111.52 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.64000000000000001 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.58 113.58 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.8400000000000001 109.314 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.6 p-90 -110.24 157.48 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.54000000000000004 107.996 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.81 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.3 mpt_? . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 4.3700000000000001 110.26 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 93' ' ' ILE . 1.1 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.239 -0.652 . . . . 2.8100000000000001 109.239 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.81 HG22 ' HG2' ' A' ' 84' ' ' ARG . 20.0 p -112.91 137.92 50.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.01 110.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -142.06 160.71 27.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.46999999999999997 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.88 155.16 49.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.70999999999999996 110.018 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.877 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -139.71 104.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.51000000000000001 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.0 t -85.01 140.71 30.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.54000000000000004 110.422 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 2.9 p90 -150.43 149.68 30.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.8899999999999999 111.04 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -108.53 160.88 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 2.4300000000000002 109.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 76' ' ' ALA . 75.0 t -140.19 120.25 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.60999999999999999 109.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.0299999999999998 109.345 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.245 -0.65 . . . . 0.85999999999999999 109.245 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.822 HG21 ' H ' ' A' ' 26' ' ' SER . 93.2 t -57.68 -85.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.65000000000000002 109.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.492 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -136.46 148.33 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.5 110.007 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 66.7 p -157.16 165.55 35.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.31 110.027 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.74 ' O ' HG22 ' A' ' 8' ' ' THR . 1.5 m -138.52 58.45 14.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.77000000000000002 110.377 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.728 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.39000000000000001 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -177.26 45.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.44 109.372 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.4 107.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 2.3799999999999999 110.273 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.06 37.35 2.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.71999999999999997 111.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.451 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.08 93.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 0.722 . . . . 1.24 109.958 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.38 120.09 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.25 110.312 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.94 -47.8 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 1.01 111.01 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.88 166.08 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 1.8 109.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.709 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -71.72 136.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.3799999999999999 109.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 148.14 34.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 1.27 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -57.03 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.92000000000000004 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 149.37 26.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.79 109.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -86.07 139.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.40000000000000002 109.344 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.76 151.0 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.8500000000000001 110.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.87 146.15 28.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.578 1.174 . . . . 0.42999999999999999 109.281 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -136.71 160.27 39.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.82999999999999996 109.618 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 50.0 m-85 -154.42 117.5 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 2.0800000000000001 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.822 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 1.9199999999999999 109.965 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.011 -0.836 . . . . 1.1599999999999999 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.24 157.75 37.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 0.93000000000000005 109.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.41 114.31 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 4.0800000000000001 109.36 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.009 HD13 HG22 ' A' ' 81' ' ' VAL . 28.9 tp -87.28 131.86 34.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.02 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.0 m -134.2 132.96 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.56999999999999995 109.33 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 10.6 ttt -91.36 96.59 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 2.0899999999999999 111.07 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 41' ' ' THR . 13.1 t -106.59 60.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.77000000000000002 110.469 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 2.02 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.467 0.175 . . . . 2.73 111.003 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.66 143.03 35.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.358 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.1 p -113.58 164.52 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 1.1000000000000001 109.296 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.56 129.7 34.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 3.4199999999999999 109.336 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.76 174.89 13.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.78000000000000003 109.376 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.84 146.2 49.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.95999999999999996 109.226 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.663 HG12 HG13 ' A' ' 68' ' ' ILE . 22.7 m -113.26 119.69 61.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 2.0499999999999998 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 m -114.83 175.35 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.3999999999999999 110.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.412 1.07 . . . . 1.25 111.025 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.241 -0.652 . . . . 2.1000000000000001 109.241 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -98.47 112.98 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.72999999999999998 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.04 150.21 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.28 111.038 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -142.98 114.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.97 109.344 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.663 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -89.29 129.63 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.56999999999999995 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -139.77 108.52 7.1 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.77000000000000002 110.37 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.96 134.72 18.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.53000000000000003 111.045 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.75 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.70999999999999996 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 148.47 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.77000000000000002 109.988 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.542 1.811 . . . . 0.69999999999999996 111.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 60.4 mt -80.21 116.86 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.58999999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -93.36 173.16 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.60999999999999999 110.399 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -49.97 167.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.543 1.152 . . . . 0.64000000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.24 -150.38 17.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.56999999999999995 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -139.84 132.51 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 0.68000000000000005 110.394 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.9 m-85 -134.0 171.54 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 2.0299999999999998 111.022 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -146.5 111.88 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 3.1499999999999999 109.351 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.009 HG22 HD13 ' A' ' 38' ' ' LEU . 44.2 t -85.08 116.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.52000000000000002 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -98.4 115.12 27.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 1.9099999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.549 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -110.08 157.85 18.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.959 -1.126 . . . . 0.5 107.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.62 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.8999999999999999 110.244 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.343 -0.614 . . . . 2.6699999999999999 109.343 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.62 HG22 ' HG2' ' A' ' 84' ' ' ARG . 54.7 p -123.1 172.12 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.02 110.452 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -174.55 159.26 28.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.17 . . . . 0.53000000000000003 110.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.77 155.01 44.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.76000000000000001 110.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.728 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.9 t -142.05 107.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.52000000000000002 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 t -90.04 137.75 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.46999999999999997 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -149.14 146.46 27.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.75 111.039 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -102.22 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 2.6200000000000001 109.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.709 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.0 t -138.7 119.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.47999999999999998 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 2.5299999999999998 109.349 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.336 -0.616 . . . . 2.25 109.336 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG21 ' H ' ' A' ' 26' ' ' SER . 82.7 t -48.83 -70.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -156.27 150.12 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.60999999999999999 110.008 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.929 ' HB2' HD23 ' A' ' 23' ' ' LEU . 80.7 p -157.52 167.22 30.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.52000000000000002 109.977 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 m -140.95 56.67 6.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.68999999999999995 110.408 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.833 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.02 -72.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.40000000000000002 111.045 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.48 43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.40999999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -37.56 101.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 2.4500000000000002 110.338 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.03 36.91 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.80000000000000004 110.993 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.87 100.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 1.26 110.043 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -105.57 120.36 41.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 1.8200000000000001 110.323 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.04 -44.37 0.58 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.578 1.174 . . . . 0.98999999999999999 110.994 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.98 167.29 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 0.817 . . . . 1.8 109.301 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 136.4 56.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.54 109.286 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -75.02 144.62 30.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 1.54 110.994 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -53.1 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.85999999999999999 109.347 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 151.49 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 3.3199999999999998 109.336 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.59 144.49 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.47999999999999998 109.312 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.4 mt-10 -120.13 150.49 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.5600000000000001 110.283 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.929 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -148.22 143.64 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.82999999999999996 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.5 m80 -135.99 155.1 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.81000000000000005 109.564 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 4' ' ' LEU . 12.8 m-85 -154.83 105.09 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 2.9399999999999999 111.025 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.674 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.5700000000000001 110.008 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 1.27 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.66 163.01 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 109.335 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -155.17 120.53 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 2.5600000000000001 109.309 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 39' ' ' VAL . 8.1 tp -90.6 135.19 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.68000000000000005 109.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.721 ' N ' HD12 ' A' ' 38' ' ' LEU . 18.1 m -129.51 131.69 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.75 109.292 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.548 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.16 96.08 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.74 111.036 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -107.08 59.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.1499999999999999 110.37 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 2.2999999999999998 109.29 179.992 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 mmm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.476 0.179 . . . . 2.6600000000000001 111.021 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -69.75 149.57 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.61 174.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0900000000000001 109.322 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.13 116.84 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.9900000000000002 109.249 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.26 173.1 13.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.78000000000000003 109.319 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.4 148.11 39.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.94999999999999996 109.246 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.29 125.54 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 2.1000000000000001 109.263 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -136.61 131.15 33.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.031 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.89000000000000001 111.05 179.944 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 2.52 109.318 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -106.65 111.77 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.78000000000000003 110.439 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.98 151.99 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.23 110.98 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 58.6 t -144.89 115.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 1.6399999999999999 109.304 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -88.41 124.5 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.60999999999999999 109.241 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.92 109.09 18.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.75 110.395 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.99 135.52 19.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.567 1.825 . . . . 0.68999999999999995 110.998 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -29.37 65.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.93000000000000005 109.274 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.51 151.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.90000000000000002 110.045 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 138.81 23.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 0.92000000000000004 110.999 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 61.2 mt -89.58 118.19 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.64000000000000001 109.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -93.62 170.51 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.67000000000000004 110.456 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.87 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.85999999999999999 109.28 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.03 -153.44 17.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.73999999999999999 111.018 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 31.6 m -131.17 137.57 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.75 110.393 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.605 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 m-85 -141.55 171.04 14.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 2.1600000000000001 110.966 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.48 113.91 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.2799999999999998 109.245 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.671 ' CG2' HD13 ' A' ' 38' ' ' LEU . 71.7 t -87.96 104.86 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.69999999999999996 109.288 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 109.37 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.3399999999999999 109.28 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 21.6 p-90 -103.83 155.67 18.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.77000000000000002 107.994 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 2.6299999999999999 110.319 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 2.5 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.359 -0.608 . . . . 3.9500000000000002 109.359 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.3 p -84.67 143.32 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.98999999999999999 110.445 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -165.24 157.59 30.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.71999999999999997 110.933 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -148.62 145.66 27.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.95999999999999996 110.015 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.833 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.8 t -127.85 111.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.54000000000000004 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.6 t -86.62 141.42 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.62 110.43 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 79' ' ' TYR . 28.8 p90 -151.75 154.11 35.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.97 111.057 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -104.17 163.03 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 2.98 109.294 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 76' ' ' ALA . 57.4 t -139.05 120.71 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 0.73999999999999999 109.235 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 3.6000000000000001 109.323 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.296 -0.631 . . . . 0.88 109.296 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.622 HG21 ' H ' ' A' ' 26' ' ' SER . 54.0 t -53.88 -76.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.67000000000000004 109.301 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.594 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.8 m -152.07 151.44 31.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.54000000000000004 110.01 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.961 ' HB2' HD23 ' A' ' 23' ' ' LEU . 58.6 p -157.55 164.11 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.35999999999999999 110.003 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.745 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -137.3 59.86 23.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.81999999999999995 110.407 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.812 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 -75.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.473 1.775 . . . . 0.55000000000000004 110.936 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.41 46.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.40000000000000002 109.379 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.14 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.9399999999999999 110.338 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.78 37.96 7.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.78000000000000003 110.981 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 t -71.68 95.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.8400000000000001 110.01 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -107.62 128.36 54.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 1.9399999999999999 110.293 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.7 -45.81 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.1100000000000001 111.025 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.66 166.53 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.8300000000000001 109.253 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.43 136.09 56.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 1.4199999999999999 109.268 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.576 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.92 150.08 38.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.732 . . . . 1.25 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.46 -55.1 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.77000000000000002 109.34 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.67 148.67 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 4.2199999999999998 109.276 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -84.89 144.66 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.48999999999999999 109.313 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tt0 -117.13 149.0 41.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 1.78 110.29 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.53 144.06 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.42999999999999999 109.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.449 ' O ' HD23 ' A' ' 4' ' ' LEU . 65.6 m-70 -136.37 147.46 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.54000000000000004 109.596 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 44.9 m-85 -155.31 116.23 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 2.8300000000000001 111.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.622 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.55 109.966 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.034 -0.826 . . . . 0.88 111.034 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -131.95 164.83 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.80000000000000004 109.306 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.66 128.71 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 3.0800000000000001 109.313 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 53' ' ' VAL . 9.9 tp -93.7 121.85 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.3400000000000001 109.279 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.44 134.26 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.04 109.257 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.1 ttt -90.32 96.45 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.6499999999999999 110.966 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 41' ' ' THR . 6.8 t -113.11 59.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 1.29 110.403 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.5099999999999998 109.295 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.446 0.165 . . . . 4.4299999999999997 110.971 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.65 140.15 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.1899999999999999 109.307 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 38' ' ' LEU . 4.1 p -97.83 174.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.3500000000000001 109.244 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.44 58.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 4.75 109.284 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -98.24 173.84 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.91 139.69 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.63 109.397 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 p -92.38 130.64 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.1099999999999999 109.295 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.07 136.0 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.27 110.043 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 1.49 110.941 -179.959 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 pttt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.322 -0.622 . . . . 2.1899999999999999 109.322 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -87.95 120.63 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.398 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.3 mpp? -110.16 151.75 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.3799999999999999 111.028 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.0 t -151.04 121.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.9199999999999999 109.322 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -91.84 124.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 109.296 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -131.78 109.11 14.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.60999999999999999 110.397 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.02 134.96 18.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.51000000000000001 111.044 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.43 78.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.337 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 153.99 37.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.01 109.965 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 126.74 10.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.80000000000000004 110.983 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.782 HD21 HD21 ' A' ' 38' ' ' LEU . 29.7 mt -71.13 115.74 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.56999999999999995 109.266 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.9 p -90.33 169.2 11.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 110.417 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.82 167.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.68999999999999995 109.319 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.51 -151.61 16.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.62 110.977 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.513 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -138.25 130.62 28.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 1.22 110.39 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -135.18 169.65 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 2.02 110.945 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.66 115.34 8.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 3.1800000000000002 109.309 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.63 ' CG2' HD13 ' A' ' 38' ' ' LEU . 2.4 t -87.91 116.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.87 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.34 124.81 44.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 2.3100000000000001 109.287 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 47.8 p-90 -118.97 158.02 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.52000000000000002 108.014 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.846 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 3.25 110.323 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 93' ' ' ILE . 2.8 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.219 -0.66 . . . . 3.6000000000000001 109.219 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.846 HG22 ' CG ' ' A' ' 84' ' ' ARG . 17.5 p -90.4 161.26 15.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.93999999999999995 110.399 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -166.83 159.94 33.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.42999999999999999 111.014 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.05 154.05 45.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.75 110.021 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.812 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.7 t -136.97 107.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.52000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.7 t -89.4 138.58 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.5 110.433 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.4 p90 -150.15 150.34 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 1.76 110.937 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -104.67 164.0 12.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 2.7799999999999998 109.281 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 76' ' ' ALA . 87.4 t -141.13 120.82 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.54000000000000004 109.361 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 2.4900000000000002 109.297 179.987 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.339 -0.615 . . . . 1.01 109.339 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.437 HG21 ' H ' ' A' ' 26' ' ' SER . 74.6 t -56.54 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.91000000000000003 109.261 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.529 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -139.1 153.63 48.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.88 110.03 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 23' ' ' LEU . 13.9 p -157.98 168.96 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.41999999999999998 109.971 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 12.0 m -140.05 57.1 8.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.68000000000000005 110.409 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.749 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.41999999999999998 111.007 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.95 44.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.56999999999999995 109.394 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 101.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 2.27 110.283 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.88 40.37 3.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.80000000000000004 110.962 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.97 95.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 1.26 110.033 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.01 121.96 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.8799999999999999 110.267 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.31 -45.09 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.93999999999999995 110.965 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.91 166.93 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.8 109.293 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.34 138.19 71.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.3799999999999999 109.334 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.0 Cg_endo -75.07 140.05 24.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 1.3700000000000001 110.934 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.98 33.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.88 109.28 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 148.9 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 4.4199999999999999 109.291 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.626 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.86 142.91 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.46999999999999997 109.287 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -119.3 149.74 41.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 2.2599999999999998 110.252 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' HD13 ' A' ' 68' ' ' ILE . 4.7 mt -145.2 142.58 29.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.59999999999999998 109.298 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.747 ' O ' HD23 ' A' ' 4' ' ' LEU . 59.0 m-70 -136.1 148.31 48.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.77000000000000002 109.626 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 5.5 m-85 -155.16 131.9 10.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 3.0499999999999998 111.007 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.437 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.72 109.969 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.82 . . . . 1.1799999999999999 111.049 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.14 152.73 29.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 1.3 109.222 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -154.73 122.19 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 2.6400000000000001 109.32 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.956 HD13 HG22 ' A' ' 81' ' ' VAL . 23.8 tp -91.51 139.83 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.90000000000000002 109.327 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.5 m -131.9 144.36 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.68999999999999995 109.295 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.542 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -104.59 95.68 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 2.3700000000000001 111.008 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 41' ' ' THR . 13.0 t -109.39 59.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.85999999999999999 110.458 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 2.98 109.348 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.5 0.191 . . . . 2.2799999999999998 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.86 140.2 52.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.79000000000000004 109.257 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 p -123.66 159.12 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 1.04 109.299 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -78.11 129.87 35.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.3599999999999999 109.286 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -155.11 175.26 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.341 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.28 145.75 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.92000000000000004 109.309 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.77 127.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 1.9199999999999999 109.318 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' VAL . 6.5 m -149.39 144.42 26.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.22 109.951 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 1.3999999999999999 110.973 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 3.1899999999999999 109.331 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -94.49 117.63 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 1.05 110.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -98.75 154.09 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.29 111.016 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 81.9 t -149.13 119.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.6799999999999999 109.29 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.595 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.6 mp -99.47 134.29 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 109.315 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.69 119.15 9.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.82999999999999996 110.38 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.558 ' HG3' HD11 ' A' ' 74' ' ' LEU . 18.5 Cg_endo -74.91 134.16 17.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.54000000000000004 111.036 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.76 -26.08 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.75 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 157.15 34.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.76000000000000001 110.064 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.19 12.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.80000000000000004 110.973 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.5 mt -77.27 116.15 17.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.75 109.226 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.9 p -95.38 170.68 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.68999999999999995 110.428 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.26 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.79000000000000004 109.348 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -149.61 17.87 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.555 1.159 . . . . 0.51000000000000001 111.018 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 31.2 m -140.13 136.5 33.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.70999999999999996 110.458 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 38' ' ' LEU . 7.8 m-85 -135.12 161.81 34.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.8600000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -130.48 111.62 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 4.21 109.292 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.956 HG22 HD13 ' A' ' 38' ' ' LEU . 60.5 t -86.18 99.24 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.72999999999999998 109.311 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.91 123.71 34.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.96 109.299 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.9 p-90 -123.11 151.02 42.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.88 108.012 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 94' ' ' THR . 1.2 mtt85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 3.0299999999999998 110.323 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.368 -0.604 . . . . 2.3999999999999999 109.368 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 84' ' ' ARG . 19.0 p -85.36 160.11 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.89000000000000001 110.422 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -173.66 151.77 14.0 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.544 1.152 . . . . 0.68999999999999995 111.024 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.84 155.19 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 1.1399999999999999 109.989 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 9' ' ' PRO . 69.6 t -132.56 103.04 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.541 1.151 . . . . 0.93999999999999995 109.3 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 5.7 t -86.6 141.68 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 110.367 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.7 p90 -154.11 148.58 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.8 110.974 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -103.67 159.06 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 3.1899999999999999 109.375 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.3 t -134.9 121.99 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.48999999999999999 109.3 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.4500000000000002 109.242 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.316 -0.624 . . . . 0.96999999999999997 109.316 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG21 ' H ' ' A' ' 26' ' ' SER . 58.6 t -51.53 -76.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.83999999999999997 109.248 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.621 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -152.32 152.67 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.53000000000000003 109.965 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.958 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.0 p -156.82 167.03 31.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.35999999999999999 109.986 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.527 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -137.35 58.17 16.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.92000000000000004 110.413 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.814 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.93 -63.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.54000000000000004 110.973 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.73 44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 0.72999999999999998 109.299 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -47.12 107.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 2.7000000000000002 110.254 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.06 63.7 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.17 . . . . 1.52 110.965 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.45 129.2 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 2.5099999999999998 109.95 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -101.53 138.03 39.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 3.77 110.322 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -160.65 -116.13 0.4 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.425 1.078 . . . . 1.97 110.935 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 174.78 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 4.4900000000000002 109.259 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 63.19 86.94 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 3.25 109.312 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.874 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.01 175.52 11.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 2.2000000000000002 110.991 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.73 -75.54 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.92000000000000004 109.304 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 158.05 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 3.3399999999999999 109.28 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.539 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -88.77 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.60999999999999999 109.291 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -111.37 149.71 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 1.6899999999999999 110.296 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -148.57 144.7 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.46000000000000002 109.287 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.595 ' O ' HD23 ' A' ' 4' ' ' LEU . 73.0 m-70 -136.07 149.84 48.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.53000000000000003 109.642 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 25.3 m-85 -153.3 119.87 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 2.1099999999999999 111.015 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.727 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.6 m . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 1.6299999999999999 109.997 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.19 168.61 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 132.36 10.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 5.2599999999999998 109.25 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.788 HD12 ' H ' ' A' ' 39' ' ' VAL . 8.5 tp -90.62 143.11 27.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.77000000000000002 109.355 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.7 m -141.64 137.38 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.81999999999999995 109.355 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.3 ttt -90.14 97.62 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 2.2799999999999998 111.023 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' THR . 6.7 t -117.49 59.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.29 110.463 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.3799999999999999 109.269 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.508 0.194 . . . . 4.2199999999999998 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.51 139.9 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.85999999999999999 109.26 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 38' ' ' LEU . 1.3 p -103.57 155.83 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.89000000000000001 109.335 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -78.88 57.95 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 5.0199999999999996 109.297 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -94.18 174.67 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.1000000000000001 109.3 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.05 148.23 33.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 1.1000000000000001 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 68' ' ' ILE . 4.8 m -111.43 126.21 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 2.1299999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -139.07 132.51 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.3600000000000001 109.964 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 1.1200000000000001 110.973 -179.971 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.278 -0.638 . . . . 2.6899999999999999 109.278 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.86 127.84 43.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 110.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.492 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.42 149.42 27.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.52 111.023 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 48.2 t -142.33 113.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 1.73 109.292 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.736 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.38 120.14 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.73999999999999999 109.316 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.0 104.23 18.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.68000000000000005 110.429 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.04 135.35 18.89 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.453 1.765 . . . . 0.73999999999999999 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.05 82.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0900000000000001 109.306 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.53 145.83 30.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.93000000000000005 109.988 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.04 12.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 1.21 110.959 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.874 HD12 ' HD2' ' A' ' 18' ' ' PRO . 29.9 mt -62.42 115.37 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.1100000000000001 109.332 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 p -86.39 162.54 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.81999999999999995 110.441 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.61 139.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.93000000000000005 109.307 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.29 -154.98 24.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.458 1.099 . . . . 0.56000000000000005 110.96 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.534 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.8 m -141.15 146.59 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 0.719 . . . . 1.0600000000000001 110.41 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 m-85 -142.75 171.45 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.8500000000000001 111.049 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -142.32 112.84 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 2.46 109.272 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.698 HG22 HD13 ' A' ' 38' ' ' LEU . 39.3 t -84.96 113.58 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.60999999999999999 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.54 125.47 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 2.3500000000000001 109.324 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 35.2 p-90 -121.09 149.2 43.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.964 -1.124 . . . . 0.69999999999999996 107.964 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.1400000000000001 110.272 179.987 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.8 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.642 . . . . 2.7799999999999998 109.268 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.9 p -103.32 160.6 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0600000000000001 110.421 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.08 162.19 35.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.453 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -139.02 156.43 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.72999999999999998 110.002 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.814 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.6 t -136.06 108.66 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.42999999999999999 109.255 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.76 133.85 35.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.54000000000000004 110.355 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -142.05 161.56 37.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 1.77 110.948 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 158.47 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.71 109.32 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 76' ' ' ALA . 3.0 t -139.78 119.45 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.77000000000000002 109.313 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 2.7799999999999998 109.292 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.265 -0.642 . . . . 0.93000000000000005 109.265 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.845 HG21 ' H ' ' A' ' 26' ' ' SER . 90.9 t -63.86 -86.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.67000000000000004 109.26 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.5 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -132.36 147.56 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.64000000000000001 110.043 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 23' ' ' LEU . 65.6 p -157.39 166.99 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.47999999999999998 110.024 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.506 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 80.4 m -136.9 59.04 20.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.68999999999999995 110.413 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.861 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.97 -66.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.39000000000000001 110.964 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 166.89 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.57999999999999996 109.294 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.67 110.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 1.112 . . . . 2.23 110.335 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.76 35.85 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.73999999999999999 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.674 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 4.6 m -70.64 98.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 1.3 110.019 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -105.92 125.94 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.6899999999999999 110.283 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.73 -43.97 0.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.91000000000000003 110.997 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.92 165.56 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.8200000000000001 109.319 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -87.83 137.87 31.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 1.6399999999999999 109.301 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.99 172.51 16.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 1.49 111.01 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.35 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.05 109.293 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 154.36 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 2.96 109.334 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.56 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -86.0 144.73 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.42999999999999999 109.346 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -115.94 150.19 37.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 3.1600000000000001 110.267 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.01 143.78 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.40999999999999998 109.347 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.557 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.6 m-70 -136.87 160.79 37.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.53 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 13.6 m-85 -155.0 131.21 10.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 2.4199999999999999 110.996 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.845 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.1499999999999999 109.918 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.985 -0.846 . . . . 0.88 110.985 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.37 150.83 27.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 0.771 . . . . 0.78000000000000003 109.343 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 126.42 7.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.124 . . . . 2.71 109.329 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.812 HD13 HG22 ' A' ' 81' ' ' VAL . 6.1 tp -94.48 133.57 37.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.699 ' N ' HD12 ' A' ' 38' ' ' LEU . 3.2 m -134.26 137.53 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.83999999999999997 109.289 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -93.85 98.19 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3700000000000001 111.006 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -107.78 59.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.73999999999999999 110.366 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.1000000000000001 109.356 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ALA . 1.7 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.541 0.21 . . . . 3.46 110.997 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -40.26 144.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.88 109.256 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.41 146.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.97999999999999998 109.361 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.88 96.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 5.0700000000000003 109.236 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -140.28 175.24 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.70999999999999996 109.272 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.18 144.45 27.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.98999999999999999 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.33 128.3 60.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 2.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.0 m -137.73 147.58 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 1.4199999999999999 110.014 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 1.2 111.04 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 pttm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.251 -0.648 . . . . 2.3199999999999998 109.251 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -110.61 117.0 32.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.71999999999999997 110.373 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.546 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.26 160.87 14.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 1.6599999999999999 110.972 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 58' ' ' SER . 7.1 p -153.86 122.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 2.7799999999999998 109.25 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.643 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -95.66 122.91 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.5 109.315 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.31 107.38 24.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.66000000000000003 110.416 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.03 135.33 18.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.52000000000000002 110.977 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.98 74.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.69999999999999996 109.309 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.63 152.59 37.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.83999999999999997 110.044 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.77000000000000002 110.979 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -75.7 116.97 16.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.427 1.079 . . . . 0.70999999999999996 109.315 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 p -90.45 175.1 7.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.77000000000000002 110.407 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -58.04 161.62 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.80000000000000004 109.339 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.67 -154.46 19.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.63 110.97 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.01 134.23 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.1000000000000001 110.425 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -138.19 170.41 16.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.0800000000000001 110.997 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CE ' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -146.95 114.97 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 2.1699999999999999 109.283 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.812 HG22 HD13 ' A' ' 38' ' ' LEU . 35.6 t -86.84 108.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.59999999999999998 109.261 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.68 116.61 29.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 2.1000000000000001 109.333 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.0 p-90 -114.21 160.34 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.028 -1.101 . . . . 0.5 108.028 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 3.3399999999999999 110.257 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 93' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.293 -0.632 . . . . 2.3399999999999999 109.293 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -103.2 147.23 27.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.96999999999999997 110.437 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.534 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.56 155.33 26.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.55000000000000004 110.946 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.436 ' CB ' ' CE ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -144.81 144.21 31.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 0.727 . . . . 0.77000000000000002 109.933 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.861 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -125.55 105.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.63 109.359 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -89.03 136.39 33.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.52000000000000002 110.435 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.9 p90 -149.45 154.69 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.75 110.954 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -103.51 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 2.3300000000000001 109.24 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 76' ' ' ALA . 44.6 t -141.96 114.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.62 109.302 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 2.8599999999999999 109.341 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.297 -0.631 . . . . 1.1699999999999999 109.297 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.643 HG21 ' H ' ' A' ' 26' ' ' SER . 57.4 t -54.04 -81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.4399999999999999 109.327 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.648 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.22 151.19 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.89000000000000001 110.04 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.981 ' HB2' HD23 ' A' ' 23' ' ' LEU . 76.2 p -156.65 168.36 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.64000000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.552 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -138.04 56.82 11.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.93999999999999995 110.36 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.831 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.97 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.592 1.838 . . . . 0.60999999999999999 110.983 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -175.78 43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.71999999999999997 109.243 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -37.7 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 2.52 110.345 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . 38.95 34.64 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.84999999999999998 110.998 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -67.38 97.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.011 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 9.7 mt-10 -105.49 126.79 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 1.9399999999999999 110.383 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.93 -39.4 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.88 111.016 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 0.807 . . . . 1.9099999999999999 109.27 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -73.02 140.04 80.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.8600000000000001 109.37 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.05 141.11 26.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.586 1.835 . . . . 1.8100000000000001 110.968 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.2 -51.71 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.191 . . . . 0.89000000000000001 109.305 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -155.23 154.66 32.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 2.3999999999999999 109.324 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -85.04 147.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.76000000000000001 109.31 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -124.9 153.9 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.8500000000000001 110.315 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.5 mt -149.33 146.63 27.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.93000000000000005 109.24 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 51.0 m-70 -137.13 159.62 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.606 ' HE2' HD13 ' A' ' 93' ' ' ILE . 11.3 m-85 -155.2 110.96 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 3.1299999999999999 111.024 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.643 ' H ' HG21 ' A' ' 5' ' ' VAL . 72.7 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 2.5899999999999999 109.978 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 1.3600000000000001 110.935 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.32 174.34 9.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 0.91000000000000003 109.325 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -154.69 125.4 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 3.0499999999999998 109.291 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.101 HD13 HG22 ' A' ' 81' ' ' VAL . 26.6 tp -93.47 141.44 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.1499999999999999 109.292 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.577 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.4 m -141.61 144.04 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.68999999999999995 109.243 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -104.32 97.97 7.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.8100000000000001 111.007 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -108.51 59.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.93999999999999995 110.466 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 2.9900000000000002 109.28 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.528 0.204 . . . . 3.3300000000000001 111.033 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.32 139.02 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 1.1599999999999999 109.266 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 ' H ' ' A' ' 54' ' ' LYS . 1.4 p -119.53 173.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 1.22 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' H ' HG22 ' A' ' 53' ' ' VAL . 3.1 tttp -98.29 126.54 43.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.8200000000000003 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.95 174.21 14.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.80000000000000004 109.225 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.47 150.69 46.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.78000000000000003 109.244 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.637 HG12 HG13 ' A' ' 68' ' ' ILE . 3.8 m -111.1 132.7 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 2.04 109.278 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -148.22 136.57 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0900000000000001 110.057 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.94999999999999996 111.002 -179.939 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.277 -0.638 . . . . 3.5899999999999999 109.277 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -104.49 117.14 33.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.1100000000000001 110.349 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.478 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.3 tpp -101.81 155.93 17.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.1799999999999999 111.019 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 13.7 t -148.57 110.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.73 109.317 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.637 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -87.07 127.58 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.81000000000000005 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.81 109.45 15.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.79000000000000004 110.343 -179.886 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.02 136.3 20.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.76000000000000001 111.006 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.92000000000000004 109.321 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 152.11 40.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.05 109.958 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.47 26.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.93999999999999995 110.984 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD21 HD21 ' A' ' 38' ' ' LEU . 30.6 mt -91.23 116.74 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.70999999999999996 109.275 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -95.91 175.04 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.84999999999999998 110.379 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -48.32 174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.84999999999999998 109.319 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -145.12 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.56000000000000005 110.974 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.599 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.8 m -145.23 145.55 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.81999999999999995 110.421 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 78' ' ' THR . 3.0 m-85 -146.09 170.24 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.77 111.037 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -143.15 109.82 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.313 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.101 HG22 HD13 ' A' ' 38' ' ' LEU . 22.0 t -86.88 112.29 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.72999999999999998 109.3 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -95.29 121.34 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 1.9399999999999999 109.305 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.526 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.6 p-90 -110.23 150.74 28.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.84999999999999998 107.971 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 3.6800000000000002 110.315 -179.976 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.606 HD13 ' HE2' ' A' ' 25' ' ' PHE . 1.2 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.257 -0.646 . . . . 3.5699999999999998 109.257 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.3 p -103.01 136.81 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.96999999999999997 110.423 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.526 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.74 170.06 42.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.70999999999999996 111.02 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -148.98 150.52 33.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 0.815 . . . . 1.1399999999999999 110.025 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.831 HG21 ' CG ' ' A' ' 9' ' ' PRO . 4.5 t -124.33 115.01 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.64000000000000001 109.286 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 t -87.97 142.33 27.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.379 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 79' ' ' TYR . 37.2 p90 -151.27 149.5 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.8100000000000001 111.0 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 4.9 mtpm? -104.24 159.93 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 3.5800000000000001 109.311 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 17' ' ' ALA . 34.9 t -134.28 124.48 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.69999999999999996 109.31 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 3.02 109.294 -179.982 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.349 -0.612 . . . . 1.3400000000000001 109.349 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.67 ' N ' HD22 ' A' ' 4' ' ' LEU . 14.4 t -50.27 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.78000000000000003 109.297 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -146.98 147.97 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.59999999999999998 110.042 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.927 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.8 p -156.44 166.02 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.34000000000000002 109.999 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.54 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 97.0 m -137.1 57.56 15.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.58999999999999997 110.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.808 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.02 -63.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.767 . . . . 0.62 110.979 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.96 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.75 109.269 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.731 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -46.4 109.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 2.2999999999999998 110.296 179.89 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 34.15 65.15 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.453 1.096 . . . . 1.54 110.977 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.81 132.38 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 2.8300000000000001 109.986 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -99.42 140.84 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 3.3399999999999999 110.3 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.29 -123.92 0.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 2.21 111.013 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 176.63 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 4.75 109.316 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.681 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 62.24 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 3.6099999999999999 109.246 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.572 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.97 -172.97 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 2.5299999999999998 110.956 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -70.07 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.82999999999999996 109.333 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.21 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 3.21 109.331 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -103.27 142.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.78000000000000003 109.278 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -108.11 145.75 33.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 1.8600000000000001 110.306 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -148.06 144.76 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.77000000000000002 109.376 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' LYS . 58.3 m-70 -141.79 136.43 30.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.02 109.605 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.721 ' CE1' HD23 ' A' ' 4' ' ' LEU . 92.2 m-85 -143.09 77.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.48 110.998 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 3.4500000000000002 110.004 180.0 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.993 -0.843 . . . . 1.01 110.993 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.506 ' HB3' HG21 ' A' ' 57' ' ' VAL . . . -155.23 165.47 36.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.69999999999999996 109.261 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -151.7 116.83 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 2.2799999999999998 109.349 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.028 HD13 HG22 ' A' ' 81' ' ' VAL . 17.7 tp -86.96 135.54 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.60999999999999999 109.302 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.508 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.7 m -133.06 134.88 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.63 109.278 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.9 97.02 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.95 110.965 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -111.83 59.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.91000000000000003 110.368 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 2.0299999999999998 109.358 179.956 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.589 0.233 . . . . 2.8999999999999999 111.02 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.74 147.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.81000000000000005 109.335 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.7 p -113.63 156.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.81000000000000005 109.29 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.57 61.0 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.34 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -90.4 174.34 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.92000000000000004 109.304 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.83 142.7 30.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.91000000000000003 109.265 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 HG13 ' A' ' 68' ' ' ILE . 41.2 t -108.37 121.38 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 3.02 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -114.33 174.26 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.071 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 1.1799999999999999 111.004 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 8.7 ptpt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.307 -0.627 . . . . 2.48 109.307 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -115.61 121.47 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.27 110.422 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -131.47 147.21 52.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 1.3999999999999999 110.958 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.52 126.52 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.8899999999999999 109.278 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -94.55 121.33 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.76000000000000001 109.255 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.84 103.37 15.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.57999999999999996 110.364 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.12 134.77 18.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.601 1.843 . . . . 0.64000000000000001 110.904 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.89 81.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.79000000000000004 109.321 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.17 145.93 30.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.03 109.944 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.72999999999999998 110.964 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.572 HD12 ' HD2' ' A' ' 18' ' ' PRO . 30.7 mt -62.95 115.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.83999999999999997 109.358 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -88.05 165.72 14.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.81999999999999995 110.384 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.84 151.49 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.81999999999999995 109.307 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.6 -152.49 17.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.60999999999999999 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.555 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 48.9 m -130.94 148.39 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.1000000000000001 110.44 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 11.4 m-85 -143.15 162.58 35.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.608 1.192 . . . . 1.75 110.956 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -130.88 120.79 24.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 4.4000000000000004 109.321 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.028 HG22 HD13 ' A' ' 38' ' ' LEU . 77.7 t -96.64 103.56 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.58999999999999997 109.311 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.67 104.72 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.75 109.243 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 4' ' ' LEU . 23.6 p-90 -102.08 160.4 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.64000000000000001 108.023 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.845 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 4.7400000000000002 110.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.7 pt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.332 -0.618 . . . . 3.21 109.332 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.845 HG22 ' HG2' ' A' ' 84' ' ' ARG . 76.9 p -119.02 165.02 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.93999999999999995 110.412 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.54 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.9 165.18 35.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.55000000000000004 110.965 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.21 142.35 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.90000000000000002 109.991 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.808 HG11 ' HG2' ' A' ' 9' ' ' PRO . 97.5 t -134.33 103.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.309 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.44 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 7.5 t -84.69 140.18 31.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.45000000000000001 110.401 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.4 p90 -149.76 160.44 43.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 110.928 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.12 165.48 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 2.27 109.358 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 17' ' ' ALA . 4.4 t -148.68 118.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.75 109.284 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.4 mttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 4.6100000000000003 109.294 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.345 -0.613 . . . . 1.26 109.345 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.519 ' N ' HD22 ' A' ' 4' ' ' LEU . 60.5 t -50.77 -79.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.97999999999999998 109.283 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.604 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -152.21 145.72 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.91000000000000003 109.956 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.925 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.2 p -156.38 165.88 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.42999999999999999 110.019 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 55.0 m -141.09 58.99 9.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.57999999999999996 110.394 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.03 -71.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.516 1.798 . . . . 0.46000000000000002 111.011 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.08 43.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.45000000000000001 109.362 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.27 107.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.77 110.318 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.52 37.95 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.70999999999999996 111.033 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.501 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -70.17 95.27 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 0.757 . . . . 1.25 110.013 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 13.2 mt-10 -104.82 127.74 52.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 2.0099999999999998 110.367 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.99 -48.33 0.72 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.088 . . . . 0.97999999999999998 111.058 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.44 168.64 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 1.8200000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -80.21 137.41 52.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.46 109.329 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.524 1.802 . . . . 1.1200000000000001 111.013 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.05 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.76000000000000001 109.249 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 152.71 30.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.497 1.123 . . . . 3.2599999999999998 109.324 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -87.73 139.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.42999999999999999 109.293 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 tt0 -116.7 149.56 39.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.72 110.354 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.925 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.5 mt -148.03 147.72 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.56000000000000005 109.26 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' O ' HD23 ' A' ' 4' ' ' LEU . 64.4 m80 -145.14 147.24 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.05 109.521 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -151.91 99.97 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 2.73 111.05 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.49 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.8999999999999999 109.982 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 1.05 110.999 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.56 153.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.87 109.268 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -155.0 122.95 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 3.3399999999999999 109.396 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 81' ' ' VAL . 14.7 tp -94.86 131.08 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.66000000000000003 109.243 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 52' ' ' ALA . 31.3 m -132.49 133.31 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.83999999999999997 109.309 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.57 95.93 10.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 2.1099999999999999 110.977 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 41' ' ' THR . 4.7 t -108.69 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.94999999999999996 110.444 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 2.3199999999999998 109.269 -179.96 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.508 0.194 . . . . 2.27 110.976 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -88.59 145.59 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.83999999999999997 109.288 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.52 130.3 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.1699999999999999 109.268 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -58.13 103.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.71 109.337 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.05 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.65000000000000002 109.365 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.14 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.84999999999999998 109.302 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HG13 ' A' ' 68' ' ' ILE . 9.3 m -114.66 123.94 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.3100000000000001 109.332 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -132.78 176.31 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.1799999999999999 110.007 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.85999999999999999 110.976 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.295 -0.632 . . . . 2.2400000000000002 109.295 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -110.52 122.41 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.78000000000000003 110.426 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -114.47 158.82 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.4199999999999999 110.934 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 1.8 p -156.27 126.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 2.4300000000000002 109.284 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -99.8 130.82 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.59999999999999998 109.301 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.61 115.95 14.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.54000000000000004 110.39 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.547 1.814 . . . . 0.60999999999999999 111.02 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.11 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 109.284 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 158.98 31.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.82999999999999996 110.039 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.78000000000000003 111.026 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 73.6 mt -72.75 118.79 16.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.65000000000000002 109.308 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.8 p -92.36 175.45 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.84999999999999998 110.414 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.689 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.77 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.1000000000000001 109.232 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.03 -146.38 18.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.60999999999999999 110.995 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.504 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 62.6 m -144.72 145.18 31.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.93000000000000005 110.388 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.6 m-85 -140.7 164.73 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.9099999999999999 111.012 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 110.35 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 2.8300000000000001 109.227 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 38' ' ' LEU . 42.4 t -85.71 103.05 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.32 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 111.84 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 2.1499999999999999 109.25 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.559 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.7 p-90 -110.13 159.18 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.58999999999999997 108.026 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' HG22 ' A' ' 94' ' ' THR . 7.2 mtt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.0800000000000001 110.292 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.28 -0.637 . . . . 3.21 109.28 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.552 HG22 ' HD3' ' A' ' 84' ' ' ARG . 20.1 p -86.74 141.03 29.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.05 110.404 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.559 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -140.12 164.68 26.14 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.457 1.098 . . . . 0.59999999999999998 111.055 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.39 142.17 25.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.376 0.692 . . . . 0.87 109.974 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' A' ' 9' ' ' PRO . 55.0 t -129.29 101.04 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.63 109.323 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -85.09 145.71 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.68000000000000005 110.349 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.5 p90 -153.27 153.8 33.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 111.024 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.3 mtpt -106.16 157.03 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 2.3500000000000001 109.296 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 76' ' ' ALA . 94.8 t -137.65 118.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.57999999999999996 109.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 2.73 109.337 179.922 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.339 -0.615 . . . . 1.05 109.339 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 ' H ' ' A' ' 26' ' ' SER . 98.8 t -60.85 -81.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 1.03 109.274 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.542 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -136.28 147.65 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.57999999999999996 109.987 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.836 ' HB2' HD23 ' A' ' 23' ' ' LEU . 78.3 p -156.48 168.23 28.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.40999999999999998 110.037 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 31.4 m -139.84 57.05 8.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.73999999999999999 110.424 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.872 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.91 -56.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.90000000000000002 111.018 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 165.21 43.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.54000000000000004 109.279 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.29 103.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.6600000000000001 110.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.9 34.74 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.89000000000000001 110.945 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.495 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.32 97.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 1.4299999999999999 109.992 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -109.88 120.7 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.9199999999999999 110.344 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.37 -39.98 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.1899999999999999 110.998 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.45 148.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 2.04 109.3 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.657 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -72.57 136.41 80.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.9199999999999999 109.298 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.73 40.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 1.5900000000000001 110.931 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.47 109.318 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.91 161.69 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.3900000000000001 109.285 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -85.37 139.2 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 109.307 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 7' ' ' SER . 2.0 tt0 -115.99 151.6 35.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.71 110.285 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.4 mt -147.75 143.87 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.02 109.305 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.583 ' O ' HD23 ' A' ' 4' ' ' LEU . 36.6 m-70 -137.85 158.3 44.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.78000000000000003 109.66 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.6 m-85 -155.01 116.98 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.3900000000000001 110.986 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.722 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 1.99 109.961 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.968 -0.853 . . . . 1.71 110.968 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.76 175.14 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 1.02 109.269 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -155.18 128.4 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.27 109.295 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -100.63 132.28 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.88 109.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -125.55 127.3 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 1.05 109.286 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 20.7 ttt -86.84 96.86 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 111.021 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.95 59.84 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.3300000000000001 110.444 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 2.4399999999999999 109.279 -179.955 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.182 . . . . 2.6000000000000001 111.011 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.8 141.38 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.2 109.356 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.513 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.69 153.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 1.22 109.277 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 111.12 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 3.1000000000000001 109.32 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -133.13 175.04 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.1499999999999999 109.302 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.93 141.93 40.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.46 129.29 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 2.2599999999999998 109.294 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -143.77 134.43 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.45 110.009 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 1.3999999999999999 110.987 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.359 -0.608 . . . . 2.0299999999999998 109.359 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.494 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -104.26 133.16 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.47 110.454 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.419 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -109.96 160.08 16.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 2.02 110.972 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 46.8 t -149.69 116.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.8100000000000001 109.3 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 121.44 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.1000000000000001 109.288 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.04 109.84 31.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.28 110.366 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.71 19.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.547 1.814 . . . . 1.05 110.978 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.3 61.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.29 109.344 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 149.93 37.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.4399999999999999 110.007 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.4 17.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.813 . . . . 1.3700000000000001 110.977 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.6 mt -84.11 117.31 23.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.75 109.281 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.3 p -97.26 175.42 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.083 . . . . 0.75 110.368 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -54.86 171.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.83999999999999997 109.322 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.66 -159.15 13.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.70999999999999996 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 29.0 m -118.18 146.59 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.89000000000000001 110.362 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 40' ' ' MET . 36.7 m-85 -145.92 157.21 43.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.8200000000000001 111.046 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.22 113.14 12.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 5.04 109.319 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 21' ' ' ILE . 57.9 t -92.13 109.78 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.66000000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.62 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8500000000000001 109.248 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 37.7 p-90 -104.51 150.61 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.82999999999999996 108.082 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 3.4100000000000001 110.261 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.5 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.318 -0.623 . . . . 3.1099999999999999 109.318 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 p -113.69 149.74 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.3600000000000001 110.4 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -154.0 153.19 24.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.80000000000000004 110.989 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 142.35 30.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 0.8 . . . . 1.4199999999999999 110.001 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -137.12 105.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.64000000000000001 109.343 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -84.67 144.25 28.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.81000000000000005 110.422 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 23.6 p90 -159.8 149.85 18.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.8 110.967 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -102.66 167.55 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 2.4199999999999999 109.342 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' H ' ' A' ' 17' ' ' ALA . 26.0 t -139.18 123.16 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.93000000000000005 109.321 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.7200000000000002 109.275 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.671 HD11 ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.259 -0.645 . . . . 1.54 109.259 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.778 HG21 ' H ' ' A' ' 26' ' ' SER . 91.9 t -51.94 -68.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.72999999999999998 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.13 148.41 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.56000000000000005 109.982 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.936 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.2 p -156.87 167.46 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.41999999999999998 109.997 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 8' ' ' THR . 7.6 m -138.04 57.1 12.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.97999999999999998 110.398 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.825 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.05 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.5 110.994 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 178.75 44.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.52000000000000002 109.253 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.15 104.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 2.77 110.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.63 37.07 0.5 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.514 1.134 . . . . 0.72999999999999998 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.6 95.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 0.733 . . . . 1.25 110.014 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -105.46 121.6 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 1.8899999999999999 110.299 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.99 -40.5 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.1 . . . . 0.89000000000000001 111.021 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.77 162.05 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.8500000000000001 109.282 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -84.4 139.88 38.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 1.6100000000000001 109.265 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.05 164.82 32.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 1.24 110.989 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.12 -49.5 67.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.81999999999999995 109.264 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -155.42 152.63 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.525 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.84 142.22 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.5 109.249 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -117.03 151.42 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.394 1.059 . . . . 1.77 110.299 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.3 mt -147.65 141.37 25.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.47999999999999998 109.287 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -134.06 158.65 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.53000000000000003 109.53 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.9 m-85 -155.67 130.72 9.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 1.96 110.974 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.778 ' H ' HG21 ' A' ' 5' ' ' VAL . 12.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 1.95 109.967 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.054 -0.818 . . . . 0.83999999999999997 111.054 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.75 161.8 40.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.723 . . . . 0.82999999999999996 109.329 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.03 124.74 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 2.5099999999999998 109.324 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 79' ' ' TYR . 5.3 tp -97.38 130.3 44.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.69999999999999996 109.253 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.73 ' N ' HD12 ' A' ' 38' ' ' LEU . 10.4 m -128.15 134.66 64.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.355 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.05 94.38 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.78 110.916 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -105.76 60.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 1.03 110.384 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 2.1000000000000001 109.273 -179.965 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.466 0.174 . . . . 2.77 110.955 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.09 139.43 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.1 p -101.44 167.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.94999999999999996 109.292 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -92.79 111.33 22.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 3.5699999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.62 174.58 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.66000000000000003 109.263 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.58 144.49 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.64000000000000001 109.294 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -109.78 126.29 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 2.1000000000000001 109.299 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.541 ' O ' HG12 ' A' ' 67' ' ' VAL . 13.0 m -143.35 151.41 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.5600000000000001 109.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 1.1699999999999999 111.0 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 3.48 109.292 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -107.55 119.31 39.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.76000000000000001 110.431 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.93 159.3 15.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 1.5600000000000001 111.032 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' SER . 7.3 p -153.34 124.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 2.8599999999999999 109.277 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.722 HG13 HG12 ' A' ' 57' ' ' VAL . 1.1 mp -101.18 123.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.56999999999999995 109.351 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.08 112.36 33.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.75 110.41 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.07 136.17 19.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.73999999999999999 110.967 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.57 -21.84 55.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.77000000000000002 109.296 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.06 152.45 46.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.87 109.991 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.546 1.814 . . . . 0.72999999999999998 110.995 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 22.5 mt -74.84 116.8 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.56000000000000005 109.325 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.0 p -88.51 172.08 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.88 110.449 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.07 161.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.71999999999999997 109.32 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.72 -154.58 18.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.58999999999999997 110.974 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.9 m -132.33 135.13 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.65000000000000002 110.342 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -136.61 153.93 50.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 2.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 0.2 OUTLIER -122.12 114.24 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 3.2400000000000002 109.284 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.648 HG22 HD13 ' A' ' 38' ' ' LEU . 70.8 t -91.76 98.05 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.66000000000000003 109.302 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.31 117.86 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.74 109.329 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 33.3 p-90 -114.65 156.11 25.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.66000000000000003 108.046 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 4.04 110.307 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.644 . . . . 2.5800000000000001 109.26 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.7 p -109.85 137.33 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.1299999999999999 110.34 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.82 159.93 29.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.63 110.978 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -143.36 166.79 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.72999999999999998 109.976 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.825 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.7 t -146.45 103.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.39000000000000001 109.262 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -84.74 142.23 29.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.54000000000000004 110.408 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 20.6 p90 -152.45 145.5 24.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.72 110.954 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -102.47 162.15 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 2.46 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 91.2 t -136.19 122.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.56999999999999995 109.34 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 3.4300000000000002 109.298 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.269 -0.641 . . . . 1.52 109.269 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.57 HG21 ' H ' ' A' ' 26' ' ' SER . 16.2 t -59.45 -78.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 1.3799999999999999 109.287 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.558 ' N ' HD22 ' A' ' 4' ' ' LEU . 9.3 m -142.52 154.31 44.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.87 109.974 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.939 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.2 p -157.93 165.58 34.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.413 1.071 . . . . 0.60999999999999999 110.019 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 8' ' ' THR . 5.3 m -137.7 58.35 16.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.82999999999999996 110.458 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.96 -69.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.42999999999999999 111.027 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 13' ' ' SER . . . 178.14 44.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.51000000000000001 109.296 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.592 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -41.49 105.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 2.6200000000000001 110.31 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.34 39.68 2.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.73999999999999999 110.97 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.587 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 3.2 t -71.96 98.72 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 2.2999999999999998 109.989 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -108.95 125.44 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.1899999999999999 110.224 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.54 -45.07 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 1.1399999999999999 110.995 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.92 157.77 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 0.751 . . . . 2.0099999999999998 109.312 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -78.65 137.49 58.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.9199999999999999 109.292 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 157.65 42.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.434 1.755 . . . . 1.3700000000000001 111.07 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . . . -55.08 -53.89 50.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.76000000000000001 109.369 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.755 ' HE2' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.87 156.77 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.347 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.65 142.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.59999999999999998 109.301 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.7 mt-10 -116.65 150.1 38.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 110.332 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.939 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -147.61 144.31 28.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.56000000000000005 109.316 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.613 ' O ' HD23 ' A' ' 4' ' ' LEU . 70.0 m-70 -134.83 157.41 46.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.80000000000000004 109.624 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 4' ' ' LEU . 10.8 m-85 -155.33 108.14 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 2.4900000000000002 111.01 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.57 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.1800000000000002 110.043 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.88 111.01 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.56 174.21 11.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 0.85999999999999999 109.325 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.66 127.06 8.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 2.23 109.362 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 81' ' ' VAL . 13.5 tp -95.22 131.37 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.91000000000000003 109.323 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 80' ' ' LYS . 34.0 m -127.55 137.6 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.92000000000000004 109.286 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -93.15 94.68 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.6699999999999999 111.015 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 41' ' ' THR . 13.9 t -98.78 59.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.22 110.432 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 2.3300000000000001 109.274 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.514 0.197 . . . . 3.2999999999999998 110.969 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 143.4 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.3100000000000001 109.327 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.79 166.26 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 1.46 109.298 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -100.32 92.96 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 4.4500000000000002 109.354 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -121.49 175.24 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.03 109.35 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.66 150.79 52.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 109.299 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.91 123.45 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.9399999999999999 109.295 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 m -131.22 175.65 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.22 110.068 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.91000000000000003 111.053 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.253 -0.647 . . . . 2.2799999999999998 109.253 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -95.89 123.85 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.68000000000000005 110.397 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 mpp? -109.34 162.63 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.53 110.952 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 8.4 p -156.02 122.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 2.54 109.34 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -96.45 126.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.71999999999999997 109.313 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.11 112.13 17.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.88 110.338 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.02 135.56 19.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.89000000000000001 110.968 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.73 73.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 1.23 109.309 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.3 155.4 36.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.1899999999999999 110.056 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.31 24.32 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 1.25 111.061 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 38' ' ' LEU . 28.7 mt -85.1 116.25 23.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.77000000000000002 109.311 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -91.09 174.53 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.1399999999999999 110.429 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -59.35 160.95 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 1.0900000000000001 109.256 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -143.52 14.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0900000000000001 111.023 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.489 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 49.0 m -133.95 141.77 47.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 1.1799999999999999 110.484 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 30.1 m-85 -144.21 154.85 43.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 2.29 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -133.49 114.33 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 3.1800000000000002 109.252 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.796 HG22 HD13 ' A' ' 38' ' ' LEU . 31.7 t -92.79 103.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.68999999999999995 109.34 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -91.66 117.76 30.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.77 109.274 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.572 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 23.6 p-90 -115.22 153.49 30.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.955 -1.128 . . . . 0.77000000000000002 107.955 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.649 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 4.9199999999999999 110.292 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.294 -0.632 . . . . 3.5699999999999998 109.294 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.649 HG22 ' HG2' ' A' ' 84' ' ' ARG . 64.6 p -138.77 148.38 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 1.6100000000000001 110.328 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 162.41 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 1.02 110.966 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.41 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -140.06 149.79 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.04 109.992 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.743 HG21 ' HG2' ' A' ' 9' ' ' PRO . 86.3 t -130.48 99.49 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.76000000000000001 109.297 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 t -84.7 145.9 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.88 110.45 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.8 p90 -157.04 152.79 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.9199999999999999 111.043 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.35 161.26 15.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 3.9900000000000002 109.307 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 17' ' ' ALA . 92.7 t -134.28 127.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.1200000000000001 109.293 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 3.1000000000000001 109.346 179.972 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.292 -0.632 . . . . 1.6899999999999999 109.292 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' ' 4' ' ' LEU . 93.1 t -56.92 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.71999999999999997 109.328 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.468 ' O ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -142.05 151.28 42.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.55000000000000004 109.975 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.819 ' HB2' HD23 ' A' ' 23' ' ' LEU . 53.9 p -157.56 167.02 31.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.48999999999999999 109.985 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.0 m -136.49 58.62 21.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.77000000000000002 110.458 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.772 . . . . 0.5 110.997 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 175.21 45.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.619 1.2 . . . . 0.51000000000000001 109.299 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.08 110.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 3.2000000000000002 110.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 37.57 37.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.70999999999999996 111.039 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -74.83 100.87 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.22 109.973 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.62 116.41 31.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 2.1200000000000001 110.312 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.95 -42.86 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.89000000000000001 110.975 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.21 165.55 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 1.8799999999999999 109.247 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.7 138.61 35.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.78 109.257 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 139.98 24.85 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.516 1.798 . . . . 1.5900000000000001 110.989 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.48 -43.92 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.1899999999999999 109.311 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 149.43 25.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 2.27 109.254 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.547 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -89.08 140.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.5 109.312 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 mt-10 -107.94 150.46 27.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 2.02 110.319 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.819 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -146.64 142.79 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.65000000000000002 109.31 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.533 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.9 m-70 -136.31 156.84 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.68999999999999995 109.617 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 18.7 m-85 -155.19 95.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 2.1000000000000001 111.09 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 2.0699999999999998 109.932 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.01 -0.836 . . . . 1.3300000000000001 111.01 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 162.02 36.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.92000000000000004 109.316 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -154.92 126.23 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 2.5099999999999998 109.348 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.927 HD13 HG22 ' A' ' 81' ' ' VAL . 13.7 tp -97.67 129.74 44.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.1799999999999999 109.236 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.2 m -113.59 143.66 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.23 109.328 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -97.45 97.06 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 2.5499999999999998 111.033 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.449 HG21 ' HD3' ' A' ' 80' ' ' LYS . 2.8 t -109.56 60.53 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.4199999999999999 110.417 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 2.1400000000000001 109.345 179.992 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.492 0.187 . . . . 3.2599999999999998 111.035 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.97 145.58 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.1799999999999999 109.281 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' LEU . 1.7 p -110.42 158.84 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.1599999999999999 109.349 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.22 116.91 25.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 4.5499999999999998 109.251 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.4 175.02 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.96999999999999997 109.302 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.65 138.02 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.1699999999999999 109.255 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.22 126.75 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 2.2599999999999998 109.341 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -132.39 175.78 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.4299999999999999 110.002 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.92000000000000004 110.907 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.3 -0.63 . . . . 3.3799999999999999 109.3 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 24' ' ' HIS . 1.2 m -117.97 132.36 56.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.78000000000000003 110.398 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.21 167.54 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.4399999999999999 110.942 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' ILE . 8.7 p -156.19 137.52 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 2.6200000000000001 109.329 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -106.17 123.38 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.552 1.157 . . . . 0.5 109.316 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.48 107.94 23.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.90000000000000002 110.384 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.04 134.78 18.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.80000000000000004 111.003 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.68 61.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 1.3600000000000001 109.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.73 152.38 44.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.01 110.028 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.2 21.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.572 1.827 . . . . 1.1200000000000001 111.008 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mt -88.24 117.53 27.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.67000000000000004 109.289 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -95.25 167.21 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.75 110.36 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -46.38 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.592 1.183 . . . . 0.72999999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.86 -156.2 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.58999999999999997 110.987 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.4 m -128.53 141.27 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.72999999999999998 110.336 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.0 m-85 -142.32 163.14 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 2.02 110.952 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -134.85 115.59 13.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 5.29 109.317 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.927 HG22 HD13 ' A' ' 38' ' ' LEU . 38.6 t -91.17 104.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.66000000000000003 109.29 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -98.28 109.94 22.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 2.0899999999999999 109.293 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.522 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 61.3 p-90 -105.55 155.74 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.78000000000000003 107.962 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 3.7599999999999998 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.26 -0.644 . . . . 2.7400000000000002 109.26 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.643 HG22 ' CG ' ' A' ' 84' ' ' ARG . 71.4 p -131.04 168.48 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.84999999999999998 110.39 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -168.69 160.5 34.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.69999999999999996 111.031 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.52 150.88 37.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 1.04 110.0 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -142.7 100.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.312 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -85.69 137.95 32.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.64000000000000001 110.367 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.87 152.9 33.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.427 1.079 . . . . 1.79 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -107.33 162.12 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.273 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.8 t -136.73 121.0 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.57999999999999996 109.311 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 2.4300000000000002 109.307 179.998 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.862 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.299 -0.63 . . . . 1.46 109.299 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.64 HG11 ' H ' ' A' ' 26' ' ' SER . 47.8 t -54.03 -81.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.568 1.168 . . . . 1.4399999999999999 109.353 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -145.42 142.78 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.96999999999999997 109.994 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.862 ' HB2' HD23 ' A' ' 23' ' ' LEU . 72.9 p -155.98 167.66 29.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.47999999999999998 109.972 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' HG22 ' A' ' 8' ' ' THR . 2.7 m -135.85 57.31 18.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.72999999999999998 110.446 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.94 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.55000000000000004 110.966 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.73999999999999999 109.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -42.41 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 3.29 110.295 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 33.37 60.8 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 1.22 111.048 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.36 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 2.3399999999999999 109.978 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -101.78 128.92 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.2200000000000002 110.318 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.03 -115.41 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.74 111.0 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.43 76.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 4.6600000000000001 109.259 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . 68.8 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.7999999999999998 109.367 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.98 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 2.3500000000000001 110.987 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.95999999999999996 109.349 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 164.37 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 2.5699999999999998 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.578 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -103.88 137.29 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.05 109.279 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -104.9 149.01 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.6699999999999999 110.354 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.8 mt -147.9 143.67 27.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.83999999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 38.7 m-70 -141.26 165.79 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.78000000000000003 109.564 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -155.39 102.66 2.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.0899999999999999 110.975 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.64 ' H ' HG11 ' A' ' 5' ' ' VAL . 30.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.6399999999999999 110.006 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.056 -0.818 . . . . 0.93000000000000005 111.056 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.51 160.16 40.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 0.794 . . . . 0.79000000000000004 109.293 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -154.9 128.03 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 2.5499999999999998 109.33 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 39' ' ' VAL . 7.8 tp -89.68 130.47 35.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.83999999999999997 109.365 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 ' N ' HD12 ' A' ' 38' ' ' LEU . 11.2 m -126.88 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.75 109.319 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -93.39 94.94 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.6399999999999999 111.042 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 41' ' ' THR . 13.3 t -102.54 59.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.93000000000000005 110.348 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 2.0099999999999998 109.32 179.962 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtp . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.518 0.199 . . . . 2.5699999999999998 110.989 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 141.77 57.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.1200000000000001 109.307 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.432 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 2.8 p -113.54 137.8 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.4099999999999999 109.277 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.6 91.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 3.1899999999999999 109.316 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -118.58 175.16 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.1100000000000001 109.356 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.68 139.18 43.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.4199999999999999 109.282 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -105.59 117.96 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 2.9100000000000001 109.264 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -113.2 174.24 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 1.3899999999999999 109.951 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.97999999999999998 111.03 179.973 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.321 -0.622 . . . . 2.8100000000000001 109.321 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' HE2' ' A' ' 66' ' ' MET . 2.5 m -104.17 117.08 33.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 1.05 110.36 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.445 ' HE2' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -122.79 151.25 41.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 1.25 111.003 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.16 118.15 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.8300000000000001 109.291 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -88.53 123.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.04 109.359 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.4 101.36 13.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.01 110.409 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 1.02 110.922 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.02 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.3799999999999999 109.328 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.88 147.49 33.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.1599999999999999 109.998 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.65 10.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.438 1.757 . . . . 1.1200000000000001 110.954 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.716 HD12 ' HD2' ' A' ' 18' ' ' PRO . 25.1 mt -64.13 117.54 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.88 109.297 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -87.08 160.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.76000000000000001 110.427 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.99 151.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.81999999999999995 109.311 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.95 -160.53 23.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.108 . . . . 0.56999999999999995 110.971 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 44.7 m -124.96 137.9 54.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.63 110.373 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 m-85 -141.36 173.31 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 1.79 111.015 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -153.49 120.41 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 2.8799999999999999 109.319 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 38' ' ' LEU . 75.6 t -84.96 107.48 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.87 109.316 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.39 118.26 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 2.3199999999999998 109.324 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.582 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 19.2 p-90 -116.85 149.2 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.57999999999999996 107.99 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.849 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 2.8399999999999999 110.348 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 2.6499999999999999 109.292 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.849 HG22 ' HG2' ' A' ' 84' ' ' ARG . 25.0 p -121.63 142.38 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 1.1299999999999999 110.412 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.19 164.09 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.986 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.66 149.91 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.81000000000000005 109.971 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 9' ' ' PRO . 15.9 t -126.36 106.82 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.46999999999999997 109.305 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.6 t -87.79 135.33 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.44 110.346 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.8 p90 -146.77 160.65 41.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 1.8999999999999999 111.024 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 162.06 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 3.9500000000000002 109.281 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 17.0 t -145.53 112.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 109.277 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.5600000000000001 109.362 179.937 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.242 -0.651 . . . . 0.97999999999999998 109.242 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.627 ' N ' HD22 ' A' ' 4' ' ' LEU . 71.1 t -64.91 -84.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.73999999999999999 109.354 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.537 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -133.89 150.4 51.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.65000000000000002 109.98 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.9 p -157.31 165.38 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.47999999999999998 110.035 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.526 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.8 m -136.9 58.3 18.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.63 110.384 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.772 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 -64.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.782 . . . . 0.46999999999999997 110.995 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.46 45.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.70999999999999996 109.298 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.59 109.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 3.0800000000000001 110.346 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.35 53.25 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 1.2 111.015 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.29 116.5 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 1.71 110.041 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -101.84 122.61 44.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 3.0899999999999999 110.276 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.3 -87.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 1.6499999999999999 110.97 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -177.47 -169.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 2.1000000000000001 109.256 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -43.52 109.69 0.83 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 2.8999999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.0 Cg_endo -75.09 -170.62 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 2.1099999999999999 110.996 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.79 -71.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.82999999999999996 109.33 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.72 150.83 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.339 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -86.56 145.86 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.48999999999999999 109.335 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 tt0 -117.05 149.32 40.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 2.3399999999999999 110.277 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -147.85 143.72 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.322 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 61.3 m-70 -134.55 156.97 47.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.646 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 6.5 m-85 -152.91 106.87 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.6899999999999999 111.039 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.609 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 1.55 109.992 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.006 -0.838 . . . . 1.3200000000000001 111.006 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.66 160.26 39.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.71999999999999997 109.313 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.4300000000000002 109.309 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.925 HD12 ' N ' ' A' ' 39' ' ' VAL . 3.0 tp -93.86 137.96 32.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.95999999999999996 109.329 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.925 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.1 m -132.4 134.98 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.56999999999999995 109.328 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 13.2 ttt -88.08 96.28 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 2.5899999999999999 111.008 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -105.0 58.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.077 . . . . 0.95999999999999996 110.415 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 2.0800000000000001 109.285 -179.998 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mmt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.518 0.199 . . . . 2.3599999999999999 111.0 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.46 160.65 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 1.3899999999999999 109.332 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.13 124.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.4299999999999999 109.265 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -52.35 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 3.52 109.332 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -141.48 174.15 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.63 109.288 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.66 145.29 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.371 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 68' ' ' ILE . 9.4 p -92.56 131.2 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 2.23 109.272 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.61 124.66 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.22 109.986 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.93999999999999995 111.026 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.351 -0.611 . . . . 2.6499999999999999 109.351 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.532 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.5 m -108.19 114.87 29.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.84999999999999998 110.447 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.418 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpp -98.85 153.5 18.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 1.8799999999999999 110.944 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 77.4 t -142.66 116.98 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.583 1.177 . . . . 1.72 109.288 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -87.88 122.97 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.5 109.317 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.73 111.32 22.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.60999999999999999 110.354 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.53 1.805 . . . . 0.52000000000000002 111.065 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.41 -17.58 63.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.91000000000000003 109.279 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 149.97 51.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 110.0 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.05 16.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.81000000000000005 110.991 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.658 HD12 ' HD2' ' A' ' 18' ' ' PRO . 31.4 mt -73.05 115.19 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.81000000000000005 109.279 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -84.68 165.65 17.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.69999999999999996 110.376 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -50.28 131.92 24.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.1200000000000001 109.265 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.2 -158.28 27.73 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.586 1.179 . . . . 0.71999999999999997 111.039 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 17.0 m -129.94 138.33 50.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.83999999999999997 110.383 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.884 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.7 m-85 -139.92 173.81 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 1.95 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 114.34 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 2.1800000000000002 109.245 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.773 HG22 ' HB2' ' A' ' 38' ' ' LEU . 64.9 t -85.48 110.24 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.62 109.289 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.32 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.8700000000000001 109.337 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 24.3 p-90 -118.84 152.26 36.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.194 . . . . 0.5 107.949 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 4.1600000000000001 110.365 179.973 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.255 -0.646 . . . . 3.0800000000000001 109.255 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.5 p -89.13 148.29 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.93000000000000005 110.399 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.37 158.74 30.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.46000000000000002 111.028 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 m -144.16 160.48 40.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 0.757 . . . . 0.91000000000000003 109.998 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.772 HG11 ' HG2' ' A' ' 9' ' ' PRO . 7.5 t -138.28 109.8 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.317 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.1 133.59 35.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.54000000000000004 110.449 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -141.23 157.35 45.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.76 110.941 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -106.87 159.36 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 5.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 76' ' ' ALA . 48.9 t -140.3 114.92 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.59999999999999998 109.247 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 2.2400000000000002 109.329 -179.994 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.345 -0.613 . . . . 0.93999999999999995 109.345 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.36 -78.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.81999999999999995 109.277 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.549 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -144.4 151.77 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.64000000000000001 110.019 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.973 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.4 p -156.48 165.24 36.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.35999999999999999 109.99 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.484 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.9 m -138.68 60.51 19.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.72999999999999998 110.425 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -77.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.40999999999999998 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -172.34 47.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.56000000000000005 109.28 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -44.37 103.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 2.25 110.295 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.82 36.89 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.78000000000000003 110.952 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.74 96.6 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.1499999999999999 109.922 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.42 122.26 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.74 110.274 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -52.23 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 0.96999999999999997 110.957 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -166.89 162.22 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 0.722 . . . . 1.8899999999999999 109.271 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.95 140.39 73.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 1.6499999999999999 109.318 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -74.97 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 3.1600000000000001 110.965 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 84.62 -48.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.99 109.278 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.04 27.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 3.6499999999999999 109.243 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -108.98 147.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.52000000000000002 109.324 -179.946 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -117.36 147.99 42.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.4199999999999999 110.321 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.6 mt -148.11 144.81 28.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.51000000000000001 109.308 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 59.6 m-70 -137.43 154.85 49.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.69999999999999996 109.57 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -154.9 164.85 38.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.99 111.012 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3300000000000001 109.956 -179.963 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.85999999999999999 110.973 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -136.55 163.47 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.66000000000000003 109.353 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -155.69 128.77 8.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.7799999999999998 109.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.969 HD13 HG22 ' A' ' 81' ' ' VAL . 59.0 tp -90.92 130.66 36.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0800000000000001 109.313 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 52' ' ' ALA . 35.0 m -129.84 140.86 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.89000000000000001 109.345 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.8 ttm -94.31 95.67 9.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 2.79 111.009 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 41' ' ' THR . 9.5 t -122.54 59.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 1.0600000000000001 110.378 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 2.3500000000000001 109.341 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.3 mtp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.557 0.218 . . . . 3.04 111.019 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.12 138.6 25.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.87 109.255 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG11 HD23 ' A' ' 38' ' ' LEU . 2.7 p -110.36 158.06 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.93000000000000005 109.291 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -79.93 99.47 7.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 4.8099999999999996 109.276 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -143.59 174.86 10.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.75 109.343 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.13 144.99 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.72999999999999998 109.364 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.17 127.13 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 2.1200000000000001 109.308 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -136.25 128.99 30.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 1.4399999999999999 109.963 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 1.3100000000000001 111.06 179.944 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.24 -0.652 . . . . 2.29 109.24 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -93.59 116.07 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.79000000000000004 110.432 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.494 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.08 147.18 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.6699999999999999 110.987 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 11.3 t -145.41 114.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 1.8100000000000001 109.317 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.723 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -84.7 117.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.68000000000000005 109.224 -179.899 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.69 106.02 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.52000000000000002 110.376 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.99 135.06 18.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.527 1.803 . . . . 0.56999999999999995 111.077 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.99 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.87 109.322 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 151.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.04 110.06 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.09 17.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 1.0600000000000001 111.027 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 38' ' ' LEU . 20.4 mt -76.49 116.77 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.1399999999999999 109.28 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -98.1 174.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 1.21 110.356 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.741 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 1.1299999999999999 109.306 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.72 -146.02 18.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.89000000000000001 110.999 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.2 m -154.03 135.98 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 1.23 110.411 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -138.79 174.43 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 2.0699999999999998 111.013 -179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.61 114.72 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 2.54 109.31 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.969 HG22 HD13 ' A' ' 38' ' ' LEU . 16.3 t -85.23 118.57 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.58999999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.75 129.82 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 1.78 109.32 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.466 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.4 p-90 -125.41 159.48 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.947 -1.131 . . . . 0.48999999999999999 107.947 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.7999999999999998 110.267 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.263 -0.643 . . . . 2.7400000000000002 109.263 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.9 p -84.67 175.03 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 1.1599999999999999 110.429 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 176.82 148.42 7.1 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 0.60999999999999999 111.002 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.49 148.83 44.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.89000000000000001 110.02 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.813 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -131.48 107.78 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.64000000000000001 109.272 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.9 t -86.05 141.62 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.56999999999999995 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -149.84 146.79 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.98 111.016 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -106.08 163.37 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 3.27 109.224 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.7 t -145.87 121.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.78000000000000003 109.289 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.3900000000000001 109.273 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.492 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.587 -0.523 . . . . 10.33 109.587 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.98 134.49 17.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 4.7400000000000002 111.024 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.73 153.07 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 5.3300000000000001 109.329 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.44 167.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.98999999999999999 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 93.9 t -55.49 -77.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.76000000000000001 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.531 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.9 146.51 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.76000000000000001 110.008 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.968 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.2 p -156.32 163.13 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.51000000000000001 110.004 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 8' ' ' THR . 2.1 m -136.23 59.03 24.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.39 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -73.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.42999999999999999 110.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.699 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -177.27 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.67000000000000004 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.6 OUTLIER -44.35 101.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 2.3599999999999999 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.0 41.35 6.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.79000000000000004 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.58 93.24 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 2.8799999999999999 109.964 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.444 ' CB ' ' HB2' ' A' ' 100' ' ' LYS . 11.2 mt-10 -107.85 129.17 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 2.6000000000000001 110.327 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.59 -44.32 0.99 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.3899999999999999 110.992 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.76 161.74 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 1.9199999999999999 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 138.38 55.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.5 109.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 1.3899999999999999 110.981 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.93 -53.63 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.71999999999999997 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -155.27 151.52 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 2.5499999999999998 109.334 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.68 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.48999999999999999 109.329 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -114.35 148.48 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.6200000000000001 110.293 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.83 144.28 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.45000000000000001 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' CD2' ' OG1' ' A' ' 65' ' ' THR . 45.1 m80 -141.15 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.87 109.62 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 3.1 m-85 -154.7 129.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 3.0699999999999998 110.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.4 m -69.96 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 1.55 109.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.81 61.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 4.3200000000000003 110.337 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' LEU . 8.5 t30 -62.24 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 4.6900000000000004 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER 38.79 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 6.3300000000000001 109.307 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 34' ' ' SER . 55.1 t -64.55 -98.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 5.2999999999999998 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.659 ' N ' HG12 ' A' ' 30' ' ' VAL . 2.0 m 47.6 46.36 17.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 4.7199999999999998 110.364 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.625 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -156.94 -81.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 5.7400000000000002 110.269 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -161.81 26.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.4400000000000004 111.035 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.764 ' HB3' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -85.29 146.3 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.3600000000000001 109.998 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.55 -161.0 29.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 1.0900000000000001 111.052 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.53 152.98 29.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.81999999999999995 109.317 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -155.01 125.04 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 2.3500000000000001 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG22 ' A' ' 81' ' ' VAL . 7.4 tp -95.45 134.03 38.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.62 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.5 m -129.77 132.23 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.66000000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.523 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -88.88 95.49 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 2.5299999999999998 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -111.05 63.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.93000000000000005 110.407 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' H ' ' HE2' ' A' ' 40' ' ' MET . . . -51.17 179.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 2.1800000000000002 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtm -37.83 156.81 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 4.7400000000000002 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 3.5499999999999998 110.975 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 -47.76 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.15 . . . . 3.5800000000000001 110.948 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -103.99 66.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 5.04 110.991 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 4.0 tt0 41.61 51.64 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 6.5099999999999998 110.257 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 18.1 p80 47.5 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 6.5999999999999996 109.586 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.74 94.81 45.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 2.23 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 159.13 41.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 1.3999999999999999 110.96 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.5 131.12 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 2.4500000000000002 111.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.73 142.61 54.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.04 109.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.463 HG11 ' HG ' ' A' ' 38' ' ' LEU . 9.3 p -101.3 161.42 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.89000000000000001 109.258 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -84.02 86.19 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 3.2799999999999998 109.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -126.96 175.21 8.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.21 151.07 43.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.66000000000000003 109.249 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -109.17 125.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 2.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.8 m -141.32 132.95 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.1799999999999999 109.996 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.66 154.19 39.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.83999999999999997 111.021 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.54 -142.29 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.025 -0.83 . . . . 2.02 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -35.84 91.97 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 2.2799999999999998 111.006 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -104.53 152.72 39.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 3.3100000000000001 109.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.21 20.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.758 . . . . 1.8200000000000001 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.76 3.77 49.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 2.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.581 ' OG1' ' CD2' ' A' ' 24' ' ' HIS . 1.1 m -118.37 122.29 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.73999999999999999 110.385 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.1 tpp -103.08 148.17 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.25 111.026 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 36.3 t -144.99 108.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 1.6200000000000001 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -86.54 125.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.59999999999999998 109.351 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.94 109.48 15.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.54000000000000004 110.387 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.04 18.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.441 1.759 . . . . 0.55000000000000004 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.69 -21.79 63.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.73999999999999999 109.322 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.99 152.3 46.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.93999999999999995 109.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.47 16.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.95999999999999996 111.021 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -75.65 116.08 15.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.71999999999999997 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.0 p -84.98 167.28 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.79000000000000004 110.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -51.21 164.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.80000000000000004 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.19 -149.0 17.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.1 . . . . 0.76000000000000001 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.468 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 70.5 m -132.49 138.97 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.97999999999999998 110.405 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 38' ' ' LEU . 9.0 m-85 -138.05 160.71 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.9199999999999999 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -132.87 117.59 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 2.79 109.312 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.872 HG22 HD13 ' A' ' 38' ' ' LEU . 47.1 t -97.61 100.55 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.58999999999999997 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.65 126.71 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 1.6200000000000001 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 37.9 p-90 -125.46 157.97 35.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.55000000000000004 108.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HG2' HG22 ' A' ' 94' ' ' THR . 7.0 mtp180 -141.57 119.83 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 4.6200000000000001 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.18 141.55 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.45 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.625 HG11 ' HB3' ' A' ' 32' ' ' GLN . 6.5 p -153.4 129.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 3.3900000000000001 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -89.16 -70.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 4.3600000000000003 109.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.18 87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 4.21 109.99 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 90' ' ' THR . 3.4 t0 174.85 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 6.5999999999999996 109.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 89' ' ' ASP . 15.2 t 49.32 -173.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 4.2300000000000004 110.355 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.15 88.77 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 5.1699999999999999 109.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 148.38 35.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.767 . . . . 1.72 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.3 mp -90.17 124.39 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 2.54 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 84' ' ' ARG . 58.3 p -109.32 147.49 32.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.81999999999999995 110.408 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.28 153.43 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.56000000000000005 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.77 143.82 45.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.738 . . . . 0.78000000000000003 109.994 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.735 HG21 ' HG2' ' A' ' 9' ' ' PRO . 70.0 t -125.84 99.6 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.58999999999999997 109.251 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.411 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.5 t -85.0 146.12 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.439 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 12.8 p90 -155.59 147.97 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.8400000000000001 110.964 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 14' ' ' GLU . 58.5 mtpt -102.01 163.07 12.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.4500000000000002 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.9 t -138.94 120.83 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 3.3399999999999999 109.29 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.437 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.618 -0.512 . . . . 10.18 109.618 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HB2' HG23 ' A' ' 93' ' ' ILE . 18.5 Cg_endo -74.91 145.52 31.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 5.5300000000000002 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.33 125.66 10.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 5.5499999999999998 109.236 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.26 175.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.88 109.297 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG21 ' H ' ' A' ' 26' ' ' SER . 72.8 t -53.39 -77.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.81000000000000005 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.58 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -152.21 146.47 25.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.68999999999999995 109.973 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 46.7 p -155.83 163.92 39.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.47999999999999998 110.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.479 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.6 m -138.09 60.57 23.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.59999999999999998 110.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.762 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.48999999999999999 111.017 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.19 44.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.44 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.15 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.6899999999999999 110.227 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 34.75 3.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 111.018 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.31 98.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 1.3500000000000001 109.978 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -111.55 123.7 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 1.99 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.17 -48.2 0.52 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 0.89000000000000001 110.948 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.94 167.56 12.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 1.72 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.5 130.64 85.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.3500000000000001 109.236 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.97 146.28 32.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 1.24 110.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.25 -57.69 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.78000000000000003 109.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -152.37 171.71 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.601 1.188 . . . . 2.9500000000000002 109.246 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -105.36 140.63 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.47999999999999998 109.281 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -113.95 147.5 38.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.8600000000000001 110.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.1 mt -147.47 144.0 28.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.9 m-70 -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.82999999999999996 109.673 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.767 ' CG ' HD23 ' A' ' 29' ' ' LEU . 19.9 m-85 -151.46 97.95 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 2.8599999999999999 110.965 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.1 t -70.03 -8.65 50.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 2.1000000000000001 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . 7.1 pt-20 -100.36 32.55 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 6.1500000000000004 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.558 HD21 HG23 ' A' ' 30' ' ' VAL . 7.1 t-20 62.09 136.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 4.6799999999999997 109.351 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 25' ' ' PHE . 1.5 tm? -98.46 -65.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 7.4699999999999998 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.558 HG23 HD21 ' A' ' 28' ' ' ASN . 1.4 t 62.43 124.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 3.8999999999999999 109.339 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' THR . 14.1 t -88.48 64.52 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 4.8499999999999996 110.385 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 4.1 tp60 -98.43 -46.23 5.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 4.7199999999999998 110.297 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HB2' HG11 ' A' ' 86' ' ' VAL . 40.4 m-85 -146.04 19.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 4.0599999999999996 111.015 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -94.55 172.34 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.73 109.951 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.7 -173.09 37.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.6 1.187 . . . . 0.88 111.016 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.69 158.27 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.70999999999999996 109.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -154.91 118.55 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 3.1499999999999999 109.382 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 81' ' ' VAL . 5.7 tp -88.64 130.26 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.68999999999999995 109.259 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' N ' HD12 ' A' ' 38' ' ' LEU . 14.2 m -123.08 131.46 73.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.76000000000000001 109.315 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 3.5 tmm? -88.77 95.33 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 2.1800000000000002 110.97 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.68 60.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.1399999999999999 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.43 12.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.0699999999999998 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -137.05 143.03 40.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 5.25 111.005 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.2 Cg_endo -75.06 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 3.7000000000000002 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.29 -61.05 6.04 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.543 1.152 . . . . 4.1500000000000004 111.015 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -140.98 93.1 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 0.714 . . . . 5.4800000000000004 110.99 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' CD ' ' NE2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER 55.67 73.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 6.5999999999999996 110.333 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' NE2' ' CD ' ' A' ' 47' ' ' GLU . 15.6 p80 44.35 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 6.6200000000000001 109.606 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.57 76.42 54.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 2.4300000000000002 109.939 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.26 20.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 1.8100000000000001 110.958 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.8 mtm -121.75 131.17 53.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 2.48 110.964 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.97 144.73 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.88 109.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -115.16 151.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.405 1.066 . . . . 0.92000000000000004 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 130.84 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 3.04 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.71 174.89 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.66000000000000003 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.48 144.43 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.65000000000000002 109.245 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 68' ' ' ILE . 6.0 m -111.3 125.79 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.8500000000000001 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -125.61 174.77 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.1200000000000001 110.031 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.84 153.75 20.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 1.05 111.02 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.17 55.22 5.0 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 110.926 -0.87 . . . . 2.2000000000000002 110.926 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.04 -54.47 3.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.596 0.821 . . . . 2.8500000000000001 111.058 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -82.56 146.81 54.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 2.8199999999999998 109.305 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.74 10.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 1.3600000000000001 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -94.68 -26.58 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 3.4100000000000001 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -99.26 128.06 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 1.1000000000000001 110.464 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -126.4 155.05 42.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.8400000000000001 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -154.12 121.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.9099999999999999 109.273 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -95.88 128.93 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.72999999999999998 109.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.6 111.7 10.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.72999999999999998 110.423 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.24 18.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.64000000000000001 110.979 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.75 109.312 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -95.27 146.84 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.1000000000000001 110.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.72999999999999998 110.978 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.648 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.0 mt -77.67 116.33 18.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.60999999999999999 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.9 p -91.32 168.44 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.62 110.416 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.24 150.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.78000000000000003 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.16 -150.54 20.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.12 . . . . 0.56999999999999995 111.043 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 m -134.06 134.1 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.62 110.399 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.694 ' HB3' HD11 ' A' ' 38' ' ' LEU . 21.5 m-85 -138.09 159.66 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.75 111.012 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -131.63 118.58 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 3.0499999999999998 109.261 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.973 HG22 HD13 ' A' ' 38' ' ' LEU . 48.0 t -94.62 105.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.5 109.273 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 117.42 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 1.8500000000000001 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 31.9 p-90 -115.3 159.73 20.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.981 -1.118 . . . . 0.59999999999999998 107.981 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 94' ' ' THR . 1.3 mtp180 -146.14 124.08 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 3.79 110.283 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.95 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.95999999999999996 109.268 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 33' ' ' PHE . 59.4 t -148.52 115.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 2.5299999999999998 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -89.07 -39.93 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 4.1699999999999999 109.987 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.97 173.82 15.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 3.4700000000000002 109.962 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 91.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 7.4100000000000001 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 90' ' ' THR . 9.9 t -175.22 74.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 5.3099999999999996 110.434 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.6 m80 61.26 113.5 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 4.7300000000000004 109.674 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 1.6399999999999999 110.955 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.7 mp -106.94 99.93 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 2.6899999999999999 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 84' ' ' ARG . 18.1 p -88.45 151.88 22.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.73999999999999999 110.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.21 150.15 19.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.621 1.2 . . . . 0.52000000000000002 111.068 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.83 142.59 38.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.81000000000000005 109.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.762 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.3 t -126.16 110.85 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.42999999999999999 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.3 t -90.64 141.58 28.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.54000000000000004 110.411 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -153.97 147.59 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.71 111.011 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -103.82 167.21 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 3.54 109.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.2 t -142.31 119.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.5 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 3.2400000000000002 109.312 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.456 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.586 -0.524 . . . . 9.6600000000000001 109.586 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.98 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.475 1.776 . . . . 5.9000000000000004 111.052 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -109.99 163.98 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.061 . . . . 5.5700000000000003 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.32 174.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.97999999999999998 109.307 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.448 HG21 ' H ' ' A' ' 26' ' ' SER . 38.4 t -55.86 -77.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.71999999999999997 109.33 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.611 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -147.9 150.49 34.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.79000000000000004 109.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.991 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.1 p -155.96 167.3 30.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 0.47999999999999998 109.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 8' ' ' THR . 15.3 m -140.23 58.37 10.59 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.76000000000000001 110.353 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.789 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.02 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.46999999999999997 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.45 45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.46999999999999997 109.308 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.532 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -43.03 110.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 2.3599999999999999 110.299 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.53 35.05 0.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.538 1.149 . . . . 0.81999999999999995 110.982 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.631 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.25 98.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 1.1699999999999999 110.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -106.21 119.88 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.7 110.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.85 -50.76 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.431 1.082 . . . . 0.85999999999999999 110.959 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.33 169.39 12.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 0.737 . . . . 1.71 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -67.9 137.33 92.38 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.3799999999999999 109.299 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.43 21.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.424 1.749 . . . . 1.3899999999999999 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.51 -51.33 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.92000000000000004 109.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 157.18 37.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 2.9300000000000002 109.282 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.551 HG23 ' HB3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -100.34 137.87 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.52000000000000002 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.9 tt0 -112.68 149.76 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.99 110.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.9 mt -147.64 143.54 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.41999999999999998 109.326 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.578 ' O ' HD23 ' A' ' 4' ' ' LEU . 55.9 m-70 -136.55 148.81 47.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.70999999999999996 109.603 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 11.7 m-85 -149.42 95.79 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 2.3700000000000001 111.043 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.1 t -71.2 -8.26 52.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.51 109.982 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.79 35.68 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 5.21 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.4 144.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 4.4400000000000004 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 25' ' ' PHE . 33.2 tp -132.76 75.26 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 7.96 109.339 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.15 158.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 3.96 109.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -104.41 58.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 4.2400000000000002 110.415 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.27 -51.24 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 4.6799999999999997 110.294 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.58 14.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 4.0499999999999998 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 p -85.71 162.2 18.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 1.6799999999999999 110.035 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.91 -166.78 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 1.04 111.042 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -155.08 159.89 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.94999999999999996 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.13 118.48 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 3.6400000000000001 109.313 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 74' ' ' LEU . 46.5 tp -85.68 137.76 32.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.28 109.298 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 80' ' ' LYS . 31.1 m -136.26 135.4 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.78000000000000003 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.9 ttt -98.21 96.6 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 1.71 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' THR . 10.3 t -109.89 59.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 1.05 110.419 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.74 132.14 35.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 2.4700000000000002 109.3 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.0 tpt 49.03 98.07 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 4.29 110.971 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.25 13.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 4.7300000000000004 111.045 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.2 50.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.555 1.16 . . . . 5.1100000000000003 111.045 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -147.05 60.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 5.1200000000000001 110.979 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 39.06 53.91 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 5.9699999999999998 110.28 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 41.02 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 7.9100000000000001 109.676 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.93 66.92 41.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 2.29 110.055 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 146.72 33.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 1.48 111.049 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -101.39 110.01 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 4.2599999999999998 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -62.98 144.33 56.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.93999999999999995 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.6 p -130.03 155.86 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.24 109.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.55 134.63 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 3.8399999999999999 109.278 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -154.26 174.87 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.88 109.33 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.65 146.15 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.96999999999999997 109.292 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.526 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -117.03 121.76 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.9099999999999999 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -117.54 175.46 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.3600000000000001 110.007 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.65 150.71 21.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 1.3 111.038 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.67 -137.92 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.933 -0.867 . . . . 2.1400000000000001 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.49 -34.94 48.74 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.975 -0.85 . . . . 2.29 110.975 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.66 156.11 41.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 3.6000000000000001 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.819 . . . . 1.45 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -86.77 -23.86 25.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 2.2999999999999998 109.258 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -102.13 118.25 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.75 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.5 150.55 38.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.51 110.949 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -143.16 115.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 2.0899999999999999 109.203 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.607 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.5 mp -87.48 131.44 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.72999999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -141.05 100.38 6.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.67000000000000004 110.465 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.02 135.19 18.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.439 1.757 . . . . 0.77000000000000002 110.958 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.83 82.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.94999999999999996 109.323 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.98 139.89 88.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.27 109.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 1.01 110.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 38' ' ' LEU . 37.3 mt -79.92 116.89 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.66000000000000003 109.235 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 p -101.25 175.04 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.98999999999999999 110.415 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.27 163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.70999999999999996 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.66 -159.99 13.89 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.46 1.1 . . . . 0.64000000000000001 111.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 88.9 m -128.03 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.623 0.837 . . . . 0.88 110.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.6 m-85 -141.73 169.18 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.9099999999999999 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.94 114.82 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 2.8300000000000001 109.306 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.811 HG22 HD13 ' A' ' 38' ' ' LEU . 2.7 t -89.91 112.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.98999999999999999 109.337 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -95.09 124.04 38.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 2.4199999999999999 109.297 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 29.8 p-90 -120.4 157.49 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.66000000000000003 108.007 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.655 ' HG2' HG22 ' A' ' 94' ' ' THR . 3.6 mtp180 -146.89 134.9 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 3.1499999999999999 110.321 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -122.29 156.8 33.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.92000000000000004 109.273 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.71 149.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 3.04 109.326 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.63 30.08 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 3.5600000000000001 109.946 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.83 -64.31 0.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 3.3399999999999999 110.046 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 90' ' ' THR . 3.4 p30 -104.8 -176.47 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 5.2699999999999996 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.487 HG23 ' OD1' ' A' ' 89' ' ' ASP . 70.0 p 47.1 -172.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 4.3799999999999999 110.431 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.15 154.45 74.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 8.6500000000000004 109.582 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.24 35.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.763 . . . . 2.8300000000000001 111.023 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.56 129.04 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 3.5800000000000001 109.244 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 84' ' ' ARG . 33.3 p -97.28 162.19 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.1000000000000001 110.473 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.55 157.41 29.12 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.486 1.116 . . . . 0.70999999999999996 110.951 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.12 150.1 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.95999999999999996 110.029 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 9' ' ' PRO . 52.4 t -132.14 102.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.58999999999999997 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.8 t -85.54 138.92 31.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.69999999999999996 110.443 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 43.3 p90 -148.93 152.42 36.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 1.8600000000000001 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -103.14 161.34 13.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 17' ' ' ALA . 96.2 t -138.17 118.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.53000000000000003 109.231 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 3.1099999999999999 109.271 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.487 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.592 -0.521 . . . . 9.0899999999999999 109.592 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.96 53.84 3.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 4.5599999999999996 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.17 160.06 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.583 1.177 . . . . 4.5599999999999996 109.238 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.74 164.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0600000000000001 109.332 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.612 HG21 ' H ' ' A' ' 26' ' ' SER . 19.8 t -62.0 -83.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.81999999999999995 109.225 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.551 ' C ' HD21 ' A' ' 4' ' ' LEU . 2.2 m -137.08 153.13 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.58999999999999997 110.035 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.8 p -156.43 167.61 29.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.38 109.993 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 59.9 m -138.68 59.65 17.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.59999999999999998 110.368 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.901 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -63.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.42999999999999999 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 166.75 48.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.55000000000000004 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.19 108.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 3.1000000000000001 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 33.83 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.77000000000000002 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.588 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.85 99.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.23 109.941 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.66 120.67 43.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.75 110.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.6 -46.5 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.95999999999999996 110.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.14 167.42 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 0.729 . . . . 1.8300000000000001 109.356 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -71.59 138.34 83.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 1.47 109.276 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.49 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.0 129.62 12.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 1.55 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.81 -52.49 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 1.02 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 146.64 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 2.6299999999999999 109.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -89.04 138.86 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.44 109.31 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.4 tt0 -110.9 149.71 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 2.1299999999999999 110.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.67 144.6 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.57999999999999996 109.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 4' ' ' LEU . 76.8 m-70 -134.73 157.14 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.87 109.582 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.1 m-85 -154.68 114.58 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 2.29 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.612 ' H ' HG21 ' A' ' 5' ' ' VAL . 53.3 p -70.13 -12.13 61.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.48 110.003 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ASN . 2.8 mm-40 -122.92 142.86 50.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 4.4500000000000002 110.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' GLU . 2.0 t-20 -40.78 131.07 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 6.4699999999999998 109.319 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 25' ' ' PHE . 1.2 tm? -78.28 -54.36 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 7.2599999999999998 109.34 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 1.2 t 63.01 125.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 4.1900000000000004 109.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 31' ' ' THR . 10.1 t -88.58 66.95 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 4.3899999999999997 110.392 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 1.7 tp-100 -101.08 -49.58 4.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 4.9800000000000004 110.283 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' H ' HG11 ' A' ' 86' ' ' VAL . 39.8 m-85 -146.29 18.57 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 4.2599999999999998 110.981 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.422 ' HB3' HG12 ' A' ' 86' ' ' VAL . 51.8 p -87.21 172.16 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.8600000000000001 110.069 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.47 161.66 9.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.90000000000000002 110.956 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -139.6 158.5 44.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.65000000000000002 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.95 128.83 8.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 2.6299999999999999 109.236 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.051 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -96.81 142.68 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 0.71999999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.886 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.4 m -136.57 136.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.60999999999999999 109.287 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.4 tmm? -88.17 95.68 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.04 110.984 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -106.96 64.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.88 110.371 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . -49.32 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.0499999999999998 109.285 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -40.23 161.77 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 5.6600000000000001 111.017 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 85.08 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.595 1.84 . . . . 3.5800000000000001 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.76 -35.98 5.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.477 1.111 . . . . 3.7999999999999998 110.989 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.7 mtp -127.56 175.17 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.614 0.832 . . . . 4.9500000000000002 111.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 89.96 0.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 5.5099999999999998 110.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.1 m80 43.07 89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 5.4500000000000002 109.616 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m -132.02 69.04 80.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 2.9100000000000001 109.952 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 168.34 25.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 1.8200000000000001 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtt -151.83 130.89 12.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 2.2200000000000002 111.022 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.25 145.02 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.78000000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 p -110.9 142.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.90000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -72.09 102.17 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 3.4500000000000002 109.315 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.41 174.59 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.65000000000000002 109.25 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.24 138.84 38.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.73999999999999999 109.29 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 68' ' ' ILE . 85.1 t -101.77 119.7 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.6600000000000001 109.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 67' ' ' VAL . 14.5 m -115.24 173.85 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.24 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.42 145.11 15.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 1.1499999999999999 111.058 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.64 -157.99 0.92 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.993 -0.843 . . . . 2.0699999999999998 110.993 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.38 -45.93 73.96 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.002 -0.839 . . . . 2.0699999999999998 111.002 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.69 153.91 38.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 3.48 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -1.67 11.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.25 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -18.71 29.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 2.04 109.275 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' HE2' ' A' ' 66' ' ' MET . 6.1 m -98.76 134.16 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.96999999999999997 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.406 ' HE2' ' C ' ' A' ' 65' ' ' THR . 1.5 mpp? -129.98 145.85 51.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 1.6000000000000001 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 58' ' ' SER . 2.7 m -145.09 117.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 2.0600000000000001 109.263 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -86.02 121.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.54000000000000004 109.212 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -132.84 95.78 18.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.77000000000000002 110.366 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.79 19.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.77000000000000002 111.011 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.47 82.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.92000000000000004 109.326 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.51 138.63 35.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.96999999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.02 15.97 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.828 . . . . 0.76000000000000001 110.992 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 29.7 mt -79.91 116.14 19.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -86.62 172.21 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.77000000000000002 110.42 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.49 171.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.77000000000000002 109.252 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.16 -152.64 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.67000000000000004 111.017 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.467 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -129.86 136.04 49.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 110.432 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -137.44 150.2 47.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 2.0099999999999998 111.016 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -132.58 114.93 14.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 2.3199999999999998 109.368 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.051 HG22 HD13 ' A' ' 38' ' ' LEU . 22.3 t -89.17 150.67 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 1.3100000000000001 109.241 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 64.7 m-20 -130.63 121.12 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 2.1600000000000001 109.224 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.9 p-90 -116.07 157.22 25.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.59999999999999998 108.03 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -145.91 128.29 15.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.328 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.5 158.25 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.98999999999999999 109.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG11 ' H ' ' A' ' 33' ' ' PHE . 13.3 p -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 3.2200000000000002 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 t -154.55 57.75 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 3.4100000000000001 110.028 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t 41.41 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 3.6600000000000001 110.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -170.95 158.92 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 6.7199999999999998 109.279 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -56.91 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 5.6799999999999997 110.346 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -83.61 121.76 76.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 6.1900000000000004 109.594 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.81 . . . . 1.8799999999999999 111.041 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 93' ' ' ILE . 4.3 mp -92.53 130.98 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 3.04 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -119.3 167.6 11.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.05 110.449 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 177.59 156.74 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.569 1.168 . . . . 0.48999999999999999 111.001 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -142.13 158.71 43.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.81000000000000005 109.999 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.901 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -138.1 108.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.48999999999999999 109.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -89.95 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.46999999999999997 110.396 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 24.0 p90 -151.82 150.16 29.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 1.8400000000000001 110.987 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -100.94 168.2 9.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 2.6699999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.633 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.6 t -144.19 117.62 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.59999999999999998 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 3.8500000000000001 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.533 -0.544 . . . . 10.65 109.533 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.11 30.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 4.4800000000000004 111.004 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -118.66 165.24 14.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 5.0300000000000002 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -53.79 173.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.381 1.051 . . . . 1.1100000000000001 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 ' H ' ' A' ' 26' ' ' SER . 85.2 t -57.1 -79.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.79000000000000004 109.372 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -145.3 151.83 38.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.56000000000000005 109.938 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 73.9 p -155.88 166.36 33.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.34000000000000002 110.0 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.514 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.0 m -136.71 58.9 21.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.83999999999999997 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.778 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.98 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.52000000000000002 111.03 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.48 46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.46999999999999997 109.352 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.55 107.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 2.1400000000000001 110.287 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.95 51.39 4.14 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.102 . . . . 0.81999999999999995 111.037 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -90.43 101.7 14.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.3 109.999 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.97 123.38 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.0099999999999998 110.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.02 -50.57 0.5 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.133 . . . . 1.1699999999999999 111.019 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.68 170.24 8.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 0.826 . . . . 1.95 109.242 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -90.47 136.34 28.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 1.72 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 1.2 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -50.6 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.80000000000000004 109.338 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 155.25 33.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 3.8700000000000001 109.288 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.76 145.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.41999999999999998 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 3.2 tt0 -113.97 148.48 36.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 2.4100000000000001 110.228 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.4 mt -148.52 142.77 26.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.5 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.48 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.8 m-70 -135.21 159.83 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.76000000000000001 109.607 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 19.9 m-85 -154.99 151.9 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 2.1299999999999999 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.426 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -81.81 -14.71 55.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 1.7 109.916 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -152.15 -45.98 0.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.562 1.164 . . . . 5.9500000000000002 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' LEU . 6.6 t-20 60.26 -87.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 4.7300000000000004 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 39.15 79.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 6.4400000000000004 109.355 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.747 HG12 ' H ' ' A' ' 32' ' ' GLN . 81.9 t -54.42 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 4.9900000000000002 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 30' ' ' VAL . 11.2 t 47.9 23.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 6.6399999999999997 110.383 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.747 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -148.68 -142.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 6.3600000000000003 110.301 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -113.7 55.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 4.9400000000000004 111.057 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.552 ' HB3' HG13 ' A' ' 30' ' ' VAL . 46.3 t -91.32 166.87 12.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 1.51 110.02 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.51 178.07 27.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.91000000000000003 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 167.54 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 0.717 . . . . 0.81000000000000005 109.321 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -155.33 129.48 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 2.4500000000000002 109.344 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.084 HD13 HG22 ' A' ' 81' ' ' VAL . 21.0 tp -96.13 133.54 40.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' H ' HD12 ' A' ' 38' ' ' LEU . 13.0 m -122.38 139.77 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.59999999999999998 109.31 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.445 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.5 tmm? -93.95 96.68 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 2.2599999999999998 110.99 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' THR . 10.0 t -116.66 79.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.92000000000000004 110.407 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.4 -178.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 2.04 109.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mtp -37.92 139.35 0.61 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 4.1699999999999999 111.02 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 96.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 3.9500000000000002 111.008 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.78 42.6 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 4.1200000000000001 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -148.36 59.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 7.21 111.019 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' MET . 2.9 tt0 38.45 42.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 8.5099999999999998 110.222 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 43.47 88.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 5.75 109.571 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -129.14 70.54 81.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.46 109.991 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 164.25 33.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.798 . . . . 2.1400000000000001 111.028 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.99 147.02 26.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 2.8799999999999999 111.038 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.72 149.4 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.82999999999999996 109.245 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 6.0 p -102.22 155.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.1100000000000001 109.335 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -87.91 84.36 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 3.2400000000000002 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -128.27 173.99 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.65000000000000002 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.63 149.66 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.84999999999999998 109.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -101.58 126.84 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 2.4700000000000002 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -132.27 136.88 47.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 1.3100000000000001 109.993 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.86 169.79 37.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.98999999999999999 110.998 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.48 -142.4 12.96 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.022 -0.831 . . . . 2.1000000000000001 111.022 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.66 -25.21 74.04 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 2.3900000000000001 110.99 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -107.94 145.35 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 3.25 109.266 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.49 21.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.503 1.791 . . . . 1.8899999999999999 111.002 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -87.24 -17.42 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 2.1400000000000001 109.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -91.28 131.6 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0800000000000001 110.34 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.88 135.71 43.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.1599999999999999 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' SER . 2.7 m -134.24 123.69 44.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 2.04 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.68 120.4 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.46000000000000002 109.319 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.38 105.06 33.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.55000000000000004 110.38 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -75.05 134.89 18.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.47999999999999998 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.19 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.68000000000000005 109.264 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 150.01 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.76000000000000001 110.041 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.79 17.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.75 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 28.9 mt -81.56 116.33 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.59999999999999998 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -93.8 172.89 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.63 110.427 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.32 175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.82999999999999996 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.71 -153.17 17.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.68999999999999995 111.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m -134.77 134.19 40.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.81999999999999995 110.35 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.639 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.3 m-85 -132.9 167.14 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.9299999999999999 110.961 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 116.78 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.7200000000000002 109.318 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.084 HG22 HD13 ' A' ' 38' ' ' LEU . 24.3 t -90.98 104.19 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.58999999999999997 109.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.0 115.65 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.0699999999999998 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.5 p-90 -112.8 154.94 25.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.46000000000000002 108.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.486 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.8 mtm105 -145.4 130.35 18.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 3.3199999999999998 110.244 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.38 107.88 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.97999999999999998 109.281 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 92' ' ' PRO . 39.1 t -101.02 134.21 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 3.1800000000000002 109.318 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.12 151.16 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 3.7999999999999998 109.995 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -67.59 80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 3.9700000000000002 110.044 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.461 ' OD2' HG22 ' A' ' 90' ' ' THR . 20.6 t70 -131.91 -52.65 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 7.7000000000000002 109.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -178.58 -56.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 5.5 110.383 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.51 ' H ' HG23 ' A' ' 90' ' ' THR . 0.3 OUTLIER -137.2 159.05 71.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 5.5899999999999999 109.576 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.615 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -74.96 158.06 42.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.515 1.797 . . . . 1.6299999999999999 111.016 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.84 127.34 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 2.6800000000000002 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 84' ' ' ARG . 40.2 p -115.54 140.69 48.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.81000000000000005 110.413 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -149.33 162.24 28.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.56000000000000005 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.42 143.88 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 109.984 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.778 HG11 ' HG2' ' A' ' 9' ' ' PRO . 24.2 t -130.58 97.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.40000000000000002 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.6 t -84.56 139.41 32.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.65000000000000002 110.402 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.0 p90 -152.61 149.26 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.8 110.94 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -99.78 166.69 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -145.65 116.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.69999999999999996 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.8399999999999999 109.246 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.616 -0.513 . . . . 10.92 109.616 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -41.32 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 5.4000000000000004 110.977 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -142.21 164.98 28.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 4.71 109.266 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.21 168.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0600000000000001 109.23 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -57.02 -78.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.70999999999999996 109.251 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -146.17 151.93 38.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.71999999999999997 110.02 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.938 ' HB2' HD23 ' A' ' 23' ' ' LEU . 22.3 p -157.37 164.31 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.44 110.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.487 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.9 m -135.47 60.08 35.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.59999999999999998 110.419 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.711 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.40999999999999998 111.01 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 179.03 43.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.38 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.98 109.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.2400000000000002 110.299 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.68 38.37 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.79000000000000004 111.045 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.619 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.86 96.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 1.1899999999999999 109.908 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -102.66 125.16 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.8100000000000001 110.298 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.36 -45.97 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.95999999999999996 110.974 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.03 162.22 15.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 1.96 109.319 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -87.59 140.79 31.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 1.8400000000000001 109.351 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.782 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 150.2 38.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.48 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -43.93 91.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.90000000000000002 109.292 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.88 147.78 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.1699999999999999 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -86.31 140.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.40999999999999998 109.307 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 mt-10 -110.4 146.98 34.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.95 110.328 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.86 144.69 28.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.45000000000000001 109.359 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.0 m-70 -136.41 155.74 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.60999999999999999 109.584 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 52.8 m-85 -154.84 103.48 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.0499999999999998 111.074 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -70.04 -6.7 35.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.55 110.025 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -95.03 -73.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 3.48 110.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 3.5 t-20 166.03 149.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 4.3899999999999997 109.321 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HG ' ' CE ' ' A' ' 66' ' ' MET . 2.4 tm? -99.15 -72.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 7.7000000000000002 109.348 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 64.19 134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 3.8799999999999999 109.207 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' THR . 10.1 t -90.64 73.31 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 4.79 110.369 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.51 -48.64 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 4.6900000000000004 110.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -152.65 21.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 4.3300000000000001 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 t -97.1 164.9 12.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 1.6899999999999999 110.051 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.26 161.89 12.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 1.28 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.27 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.70999999999999996 109.26 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -155.18 128.67 8.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 2.54 109.294 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.052 HD13 HG22 ' A' ' 81' ' ' VAL . 7.0 tp -96.52 131.91 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.68000000000000005 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.665 ' N ' HD12 ' A' ' 38' ' ' LEU . 7.7 m -127.54 134.24 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.81000000000000005 109.279 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -87.54 90.68 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 1.8400000000000001 110.959 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.66 60.0 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.01 110.357 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 133.22 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 2.75 109.241 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 tpt 56.55 97.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 3.9100000000000001 110.963 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 86.6 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 4.6799999999999997 110.971 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.13 50.27 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.482 1.113 . . . . 4.3799999999999999 110.953 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 61.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 5.6299999999999999 110.967 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.11 37.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 5.5800000000000001 110.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 51.67 84.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 6.2699999999999996 109.574 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -130.33 74.08 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 2.1899999999999999 110.0 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.81 26.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 1.5800000000000001 111.037 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -107.93 108.88 20.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 2.2400000000000002 110.942 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.93 145.59 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.1899999999999999 109.282 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.78 136.12 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.1299999999999999 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -61.94 96.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 3.5099999999999998 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.99 174.84 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.56999999999999995 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.66 139.5 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.65000000000000002 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.642 HG22 HG13 ' A' ' 68' ' ' ILE . 84.8 t -97.31 124.6 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -139.66 133.12 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.96999999999999997 109.974 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.68 159.56 53.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.24 -119.0 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 2.02 111.044 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.69 -33.96 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.032 -0.827 . . . . 2.1600000000000001 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.88 160.83 35.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.78 . . . . 2.2599999999999998 109.25 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.76 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 1.3200000000000001 110.99 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -85.15 -9.76 57.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 2.5499999999999998 109.318 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.7 m -113.06 123.41 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.76000000000000001 110.396 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 mpp? -106.88 150.89 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 1.1200000000000001 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -144.7 114.94 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 1.5800000000000001 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.53 118.73 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.55000000000000004 109.342 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -119.01 111.11 37.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.87 110.419 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 134.92 18.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.79000000000000004 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.6 -25.96 62.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 157.01 47.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.1699999999999999 110.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 130.63 13.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.77000000000000002 110.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.5 mt -76.56 116.13 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.63 109.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 p -85.18 170.83 12.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.72999999999999998 110.367 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.545 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.6 178.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.76000000000000001 109.351 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.99 -147.38 16.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.52000000000000002 111.081 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.6 m -133.34 140.28 47.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.83999999999999997 110.39 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -139.97 160.83 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 2.0299999999999998 110.985 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 115.64 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 2.9199999999999999 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.052 HG22 HD13 ' A' ' 38' ' ' LEU . 43.9 t -94.98 106.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.64000000000000001 109.335 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 123.35 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.8899999999999999 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CH2' ' HA3' ' A' ' 95' ' ' GLY . 21.2 p-90 -120.41 157.71 28.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.65000000000000002 108.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.455 ' HG2' HG22 ' A' ' 94' ' ' THR . 13.0 mtp180 -148.25 122.01 9.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 4.9100000000000001 110.287 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' CB ' ' CE2' ' A' ' 25' ' ' PHE . . . -111.37 151.19 28.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.78000000000000003 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 92' ' ' PRO . 93.1 t -149.96 106.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 2.6800000000000002 109.259 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 3.5600000000000001 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -56.55 12.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 4.3600000000000003 109.995 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.62 99.71 3.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.175 . . . . 5.4100000000000001 109.28 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -173.05 156.43 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 6.7999999999999998 110.395 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.61 163.84 0.23 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 4.8799999999999999 109.584 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' HA ' HG22 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.07 126.7 10.09 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 2.21 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 1' ' ' HIS . 7.6 mm -99.29 97.45 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 2.5299999999999998 109.336 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 84' ' ' ARG . 70.8 p -91.99 154.04 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.89000000000000001 110.407 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -174.22 156.07 22.71 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.82 158.67 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 1.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.711 HG11 ' HG2' ' A' ' 9' ' ' PRO . 71.9 t -135.4 101.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.64000000000000001 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -86.82 143.13 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.77000000000000002 110.366 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.0 p90 -152.93 158.16 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.73 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -109.61 164.86 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 3.7599999999999998 109.32 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 17' ' ' ALA . 68.1 t -142.65 122.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.5 109.31 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.5899999999999999 109.275 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.47 ' HB3' ' CD ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.601 -0.518 . . . . 8.9299999999999997 109.601 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 47.04 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.762 . . . . 5.7400000000000002 110.949 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -152.1 126.42 9.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 4.2999999999999998 109.293 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -66.65 175.09 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.92000000000000004 109.314 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.783 HG21 ' H ' ' A' ' 26' ' ' SER . 99.2 t -57.76 -81.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.66000000000000003 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.561 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -141.22 145.49 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.62 110.047 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 51.5 p -156.21 163.43 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.37 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -138.84 59.54 16.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.75 110.359 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.764 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.09 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.42999999999999999 110.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.29 44.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.42999999999999999 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.43 105.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.0699999999999998 110.237 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.39 35.73 2.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.78000000000000003 111.031 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.55 98.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.77 . . . . 1.29 110.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.52 119.93 40.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.8700000000000001 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.19 -55.32 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.87 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.07 173.37 5.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 1.6699999999999999 109.315 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -68.63 128.57 92.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.3999999999999999 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.8 36.43 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.397 1.735 . . . . 1.1299999999999999 110.964 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 -64.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.01 109.312 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -153.82 156.32 37.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 2.5299999999999998 109.33 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.02 140.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.41999999999999998 109.275 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -116.87 147.68 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 2.29 110.347 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.5 mt -147.5 145.31 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.42999999999999999 109.287 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.586 ' O ' HD23 ' A' ' 4' ' ' LEU . 58.5 m-70 -139.52 156.94 46.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.67000000000000004 109.569 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 93.3 m-85 -154.57 115.09 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 2.3999999999999999 111.017 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.783 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -69.66 -11.44 60.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.5 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -113.39 147.1 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 4.2400000000000002 110.287 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' OD1' HG23 ' A' ' 30' ' ' VAL . 5.1 t-20 -40.26 135.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 5.3099999999999996 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -119.34 72.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.067 . . . . 7.2999999999999998 109.301 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' OD1' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -62.77 141.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 4.3700000000000001 109.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 31' ' ' THR . 14.6 t -90.69 67.5 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 4.4299999999999997 110.329 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 1.9 tp60 -108.32 -53.57 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 4.7800000000000002 110.356 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.54 ' HB2' HG21 ' A' ' 86' ' ' VAL . 27.0 m-85 -130.84 19.11 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 4.4299999999999997 111.007 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 p -88.77 169.12 11.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 2.0800000000000001 109.979 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.03 162.15 9.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.89000000000000001 111.016 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.44 160.22 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.62 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.64 126.32 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 3.3700000000000001 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 81' ' ' VAL . 15.5 tp -93.47 141.43 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.79000000000000004 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.741 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.7 m -135.88 137.11 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.60999999999999999 109.247 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -90.85 96.96 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.9299999999999999 110.957 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -108.12 59.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.82999999999999996 110.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.33 -60.35 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 2.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.4 mtt -148.12 153.65 41.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 3.8399999999999999 111.031 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 92.84 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 3.27 110.999 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.78 -63.65 3.4 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 3.5 110.995 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.88 99.93 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 5.5 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 40.08 67.62 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 6.0700000000000003 110.327 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t60 49.14 80.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 5.5099999999999998 109.554 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 80.31 17.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 2.2799999999999998 109.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.68 24.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 1.3200000000000001 111.037 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtt -133.77 134.71 43.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 2.4399999999999999 111.055 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.55 148.18 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.78000000000000003 109.258 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -110.16 169.42 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.80000000000000004 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.6 mttt -94.73 113.78 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 3.29 109.305 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -146.95 172.99 12.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.57999999999999996 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.17 143.87 40.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.279 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HG13 ' A' ' 68' ' ' ILE . 12.5 m -107.71 125.8 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 1.8100000000000001 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 4.0 m -134.96 148.73 50.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.42 161.44 18.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.96999999999999997 111.036 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -98.27 77.4 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 2.2000000000000002 110.992 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.6 -61.43 0.46 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.996 -0.842 . . . . 2.8599999999999999 110.996 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -78.6 141.97 61.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 2.54 109.271 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -1.87 11.81 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.527 1.804 . . . . 1.49 110.94 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -93.12 -30.65 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 2.0499999999999998 109.26 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -90.16 130.3 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.421 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -127.39 148.83 50.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.3999999999999999 111.05 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -151.15 120.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 2.1099999999999999 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.932 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -91.46 127.29 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.5 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.625 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.07 99.21 13.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.81999999999999995 110.356 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.08 18.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.67000000000000004 111.011 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.71 66.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 1.24 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.33 137.83 22.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.87 109.931 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.01 13.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.89000000000000001 110.993 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 24.0 mt -74.9 117.62 16.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.78000000000000003 109.289 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.1 p -84.44 168.57 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.68000000000000005 110.41 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.752 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.72 156.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.69999999999999996 109.231 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.28 -154.19 20.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.53000000000000003 110.996 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.4 m -130.99 135.97 48.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.724 . . . . 0.67000000000000004 110.334 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.8 m-85 -141.03 163.2 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 2.1499999999999999 111.029 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 47.3 pttt -136.36 119.6 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 3.3599999999999999 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 38' ' ' LEU . 29.7 t -90.68 105.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 109.346 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.58 111.16 22.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.6200000000000001 109.336 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.1 p-90 -109.12 158.69 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.53000000000000003 108.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -145.88 114.36 6.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 3.5800000000000001 110.287 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' CB ' ' CE2' ' A' ' 25' ' ' PHE . . . -102.14 144.56 30.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.1000000000000001 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG21 ' HB2' ' A' ' 33' ' ' PHE . 37.7 t -136.51 140.05 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 2.3700000000000001 109.254 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.577 ' HB3' HG22 ' A' ' 90' ' ' THR . 31.2 t -83.79 -60.42 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 3.6400000000000001 110.022 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.96 -62.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 3.8100000000000001 109.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' THR . 1.2 m-20 -109.51 -55.39 2.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 5.8099999999999996 109.251 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 87' ' ' SER . 6.4 t -38.72 153.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 6.5499999999999998 110.338 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.98 159.64 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 5.3499999999999996 109.597 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 1.5800000000000001 111.02 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.1 mp -122.28 100.87 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 2.6099999999999999 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.9 p -85.73 140.21 30.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.79000000000000004 110.4 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.01 162.0 29.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.47999999999999998 110.955 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -150.38 144.48 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.93999999999999995 110.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.764 HG21 ' HG2' ' A' ' 9' ' ' PRO . 41.2 t -128.12 106.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.135 . . . . 0.45000000000000001 109.366 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 t -87.45 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.55000000000000004 110.403 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.82 152.05 32.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.8200000000000001 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -104.0 165.57 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 2.29 109.336 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 76' ' ' ALA . 77.6 t -144.2 114.18 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.47999999999999998 109.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 3.1200000000000001 109.262 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.491 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 16.77 109.586 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 -79.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.43 1.753 . . . . 9.6699999999999999 110.952 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -150.21 164.3 36.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 7.7300000000000004 109.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -55.39 105.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.5700000000000001 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 11.7 t -55.36 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.82999999999999996 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 153.26 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.66000000000000003 109.973 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.971 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.3 p -156.57 168.33 27.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.41999999999999998 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.534 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 25.9 m -141.91 57.81 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.54000000000000004 110.387 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.76 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -58.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.56000000000000005 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.5 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.41999999999999998 109.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -43.95 106.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 2.4700000000000002 110.311 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.63 38.51 1.54 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.72999999999999998 111.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.2 94.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.014 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.46 128.14 54.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.9299999999999999 110.268 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.43 -43.34 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.1299999999999999 110.953 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.7 161.56 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 1.8300000000000001 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.06 139.23 49.29 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.51 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 1.5700000000000001 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 -53.32 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.68999999999999995 109.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -154.69 157.84 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 2.9900000000000002 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.9 138.92 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.55000000000000004 109.271 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -113.23 149.09 34.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 1.6000000000000001 110.28 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.971 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.8 mt -148.43 143.71 26.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.45000000000000001 109.385 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -136.09 149.26 48.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.59999999999999998 109.601 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' HD23 ' A' ' 4' ' ' LEU . 8.1 m-85 -154.93 121.54 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 2.5099999999999998 111.017 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -70.16 -8.17 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.49 109.947 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.86 43.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 4.4299999999999997 110.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 9.7 t30 -40.48 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 4.8799999999999999 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 38.94 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 6.2000000000000002 109.287 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 34' ' ' SER . 45.0 t -62.81 -94.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 5.1699999999999999 109.251 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.612 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.9 m 49.65 39.95 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 5.3300000000000001 110.454 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' HG2' HG12 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -177.29 53.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 5.9199999999999999 110.368 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLN . 44.1 m-85 36.98 61.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 6.29 111.035 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.658 ' HB3' HG22 ' A' ' 30' ' ' VAL . 23.7 t -102.63 152.32 21.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 1.78 110.014 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.57 -150.27 20.13 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.422 1.076 . . . . 1.3400000000000001 110.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.29 173.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 1.1399999999999999 109.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -155.23 131.6 10.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 2.7999999999999998 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -96.39 138.48 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.729 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.0 m -136.01 142.7 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.72999999999999998 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -91.96 96.46 10.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.74 110.988 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' THR . 9.3 t -117.98 59.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.88 110.441 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -68.18 -59.06 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.387 1.054 . . . . 1.8999999999999999 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 148.46 42.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 4.54 111.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 66.6 6.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.441 1.758 . . . . 4.0199999999999996 110.963 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.47 -62.88 1.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 4.3700000000000001 110.96 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.5 mmm -126.72 88.84 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 6.5999999999999996 111.056 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 43.16 76.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 5.9699999999999998 110.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 44.61 75.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 5.9100000000000001 109.597 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -118.45 95.55 48.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 2.52 109.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 140.92 25.88 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 1.6599999999999999 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -114.08 127.64 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 2.7599999999999998 110.957 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.31 140.76 58.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.083 . . . . 0.97999999999999998 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.5 138.48 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 1.1799999999999999 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.16 100.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 4.1399999999999997 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.97 172.69 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 109.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.88 149.37 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.68000000000000005 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 HG13 ' A' ' 68' ' ' ILE . 3.0 m -104.54 130.85 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.8400000000000001 109.235 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -144.56 133.02 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.22 110.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.69 153.91 42.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.84999999999999998 110.945 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.56 -151.33 11.35 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.069 -0.812 . . . . 1.8100000000000001 111.069 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.75 -52.5 7.67 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.007 -0.837 . . . . 2.3799999999999999 111.007 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.93 152.03 37.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 3.6000000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -8.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.587 1.835 . . . . 1.9299999999999999 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -13.69 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.8500000000000001 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -107.21 124.92 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.89000000000000001 110.395 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.18 147.19 27.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.3799999999999999 111.074 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 59.8 t -141.86 114.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 1.78 109.38 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.682 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -92.48 122.77 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.58999999999999997 109.32 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.25 111.13 23.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.65000000000000002 110.392 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.63 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.43 -25.27 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.77000000000000002 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.78 150.3 38.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.88 109.951 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 130.98 13.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.83999999999999997 111.041 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.3 mt -76.63 115.36 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.612 1.195 . . . . 0.81000000000000005 109.355 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -99.07 169.43 9.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.1599999999999999 110.395 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.756 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.04 157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.79000000000000004 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.21 -147.81 18.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.59999999999999998 111.007 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.44 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 2.2 m -154.23 134.1 13.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 110.395 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -136.27 175.07 9.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 1.95 110.965 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.54 113.96 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 2.4100000000000001 109.352 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 38' ' ' LEU . 38.8 t -85.12 107.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.63 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.38 117.85 30.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 2.0499999999999998 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 54.3 p-90 -112.34 154.55 25.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.81999999999999995 107.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -146.12 126.21 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 3.5299999999999998 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.79 96.97 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.1100000000000001 109.313 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.75 HG22 ' CB ' ' A' ' 92' ' ' PRO . 87.0 t -88.14 134.35 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 3.3500000000000001 109.241 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 1' ' ' HIS . 1.4 m -155.54 166.31 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 4.04 109.997 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.72 105.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 4.29 109.975 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.5 170.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 7.8099999999999996 109.311 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.7 p -60.25 -42.82 96.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 5.9299999999999997 110.436 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -139.4 149.42 60.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 5.1699999999999999 109.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.75 ' CB ' HG22 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.0 169.78 21.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 1.74 111.033 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.5 132.22 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 2.3999999999999999 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -121.13 150.53 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 1.02 110.393 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.568 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -159.2 160.11 30.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.67000000000000004 111.038 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.04 142.37 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.0900000000000001 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.76 HG11 ' HG2' ' A' ' 9' ' ' PRO . 84.9 t -128.2 103.31 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.68000000000000005 109.362 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -85.24 145.19 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.63 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -155.31 147.43 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.9199999999999999 110.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -102.94 167.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.4300000000000002 109.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.756 HG12 ' HA ' ' A' ' 76' ' ' ALA . 96.4 t -143.34 121.65 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.63 109.308 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 2.4700000000000002 109.288 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.546 -0.538 . . . . 10.6 109.546 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -55.27 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.576 1.83 . . . . 6.4199999999999999 111.026 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -136.25 152.14 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 4.7300000000000004 109.343 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -53.64 175.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.25 109.33 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.637 HG21 ' H ' ' A' ' 26' ' ' SER . 6.2 t -51.8 -76.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.3999999999999999 109.313 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.598 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -153.33 150.99 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.91000000000000003 109.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.5 p -156.85 166.52 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.58999999999999997 109.986 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 m -137.09 58.34 17.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.81000000000000005 110.411 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.91 -74.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.37 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.35 43.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.47999999999999998 109.331 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -41.58 107.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 2.2599999999999998 110.272 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.28 34.17 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.525 1.141 . . . . 0.76000000000000001 110.999 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.97 100.33 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 1.24 110.014 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -105.45 118.7 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.99 110.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.53 -50.13 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.94 173.76 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 0.808 . . . . 1.9099999999999999 109.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -81.15 134.43 52.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.55 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 163.87 34.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 1.23 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.41 -51.58 35.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.81000000000000005 109.294 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 149.02 25.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 2.9100000000000001 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.83 142.22 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.40999999999999998 109.349 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -114.66 149.22 37.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 2.48 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -148.32 145.3 28.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.63 109.36 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.591 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.8 m-70 -138.62 150.36 46.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.82999999999999996 109.557 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 80.7 m-85 -154.93 123.06 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 2.9300000000000002 110.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.637 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -102.78 7.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 2.4500000000000002 110.02 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.82 28.16 8.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 5.7300000000000004 110.335 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.76 96.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 5.5300000000000002 109.352 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD11 ' OG ' ' A' ' 34' ' ' SER . 2.7 tm? -87.37 89.22 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 7.2000000000000002 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 32' ' ' GLN . 2.7 t -74.07 153.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 4.2000000000000002 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' THR . 6.1 t -97.17 53.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 4.0800000000000001 110.407 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 32' ' ' GLN . 1.5 mm-40 -102.29 -44.19 5.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 4.9199999999999999 110.336 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -136.73 14.23 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 5.25 111.033 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.557 ' OG ' HD11 ' A' ' 29' ' ' LEU . 44.3 t -89.14 157.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.8300000000000001 110.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.97 -172.06 43.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 1.3200000000000001 110.96 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 68' ' ' ILE . . . -153.87 149.56 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 1.1200000000000001 109.335 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -154.41 111.5 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 3.1699999999999999 109.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -92.38 138.89 31.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.78000000000000003 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.739 ' H ' HD12 ' A' ' 38' ' ' LEU . 30.2 m -134.51 141.37 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.82999999999999996 109.251 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.3 96.48 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.3599999999999999 111.036 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -112.17 60.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.05 110.391 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -37.52 -56.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.2400000000000002 109.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.16 114.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 6.9000000000000004 110.96 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.43 35.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 4.3099999999999996 111.013 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.09 -62.19 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.431 1.082 . . . . 4.04 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.83 87.99 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 8.4000000000000004 110.958 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 39.6 78.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 13.67 110.254 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -171.38 81.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 13.029999999999999 109.615 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.5 p -86.42 154.68 56.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 3.48 109.977 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.87 6.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 2.0299999999999998 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.1 mtp -124.12 155.97 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 4.0599999999999996 110.95 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.73 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -87.53 152.53 22.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.01 109.273 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.66 162.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -87.3 105.1 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.7400000000000002 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -139.25 169.22 18.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.65000000000000002 109.276 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.02 138.48 43.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.63 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -102.19 123.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 2.02 109.288 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -123.06 175.34 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.0800000000000001 109.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.16 151.39 20.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 1.04 111.043 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.07 62.06 4.5 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 2.0699999999999998 110.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.33 -56.13 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 2.9700000000000002 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.41 147.11 55.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 2.75 109.37 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.35 9.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.442 1.759 . . . . 1.3600000000000001 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -90.99 -35.52 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 2.4700000000000002 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -90.87 134.61 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.21 110.382 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.81 151.08 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.6000000000000001 111.019 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -151.81 124.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.8100000000000001 109.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -94.08 120.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.55000000000000004 109.35 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.646 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.8 95.54 39.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.68999999999999995 110.45 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.98 135.8 19.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.67000000000000004 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.02 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.80000000000000004 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.39 138.17 22.5 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.1599999999999999 110.051 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.84 12.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.529 1.805 . . . . 0.92000000000000004 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 23.4 mt -76.15 116.25 16.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0700000000000001 109.373 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -86.29 168.13 14.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0600000000000001 110.451 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.73 165.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.01 109.268 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.14 -148.49 17.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.92000000000000004 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.1 m -137.15 131.52 32.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 0.716 . . . . 1.2 110.416 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.0 m-85 -134.58 171.43 14.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 2.0499999999999998 110.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 120.5 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 2.4700000000000002 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 38' ' ' LEU . 34.5 t -95.92 119.04 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.57999999999999996 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -101.63 117.58 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 2.2999999999999998 109.302 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.0 p-90 -110.98 157.01 20.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.98999999999999999 107.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.26 146.96 47.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 3.29 110.294 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 93' ' ' ILE . . . -137.33 154.01 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 1.1299999999999999 109.256 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.18 159.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 4.0599999999999996 109.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.22 -51.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 3.8300000000000001 110.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -151.79 -52.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 4.3700000000000001 110.065 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 159.91 161.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 7.3200000000000003 109.316 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.8 m 64.5 115.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 5.6500000000000004 110.391 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.6 88.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 7.7800000000000002 109.625 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 2.8500000000000001 110.961 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 85' ' ' ALA . 6.3 tp -103.75 134.09 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 3.2000000000000002 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 p -118.43 148.11 42.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.1000000000000001 110.398 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.23 154.77 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.397 1.061 . . . . 0.91000000000000003 111.054 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.85 152.91 48.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 1.02 109.964 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 t -141.13 105.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.52000000000000002 109.287 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 t -88.08 138.88 31.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.68999999999999995 110.416 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -148.62 153.52 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.8999999999999999 110.969 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.56 166.3 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 2.8199999999999998 109.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.9 t -143.8 116.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.76000000000000001 109.343 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 2.6200000000000001 109.313 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.6 -0.519 . . . . 11.949999999999999 109.6 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 158.96 42.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 5.2000000000000002 111.019 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 147.56 44.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 4.5999999999999996 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.13 173.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 1.01 109.238 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.739 HG21 ' H ' ' A' ' 26' ' ' SER . 92.8 t -59.32 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.79000000000000004 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -142.71 148.12 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.60999999999999999 109.998 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.823 ' CB ' HD23 ' A' ' 23' ' ' LEU . 37.4 p -157.22 163.76 38.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.5 110.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.491 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 23.6 m -136.88 59.9 26.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.81999999999999995 110.369 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 -78.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.53000000000000003 111.024 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 44.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.58999999999999997 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.12 108.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.8700000000000001 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.18 36.96 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 1.1200000000000001 111.029 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.66 98.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 1.3300000000000001 109.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.06 121.61 43.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.48 110.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.45 -56.5 0.31 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.112 . . . . 1.1200000000000001 111.009 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.45 173.57 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 1.8100000000000001 109.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 130.7 85.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.4299999999999999 109.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 161.19 39.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.818 . . . . 1.1699999999999999 110.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.76 -59.99 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.90000000000000002 109.278 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -155.31 150.47 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 3.6000000000000001 109.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.598 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.77 139.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.75 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.1 tt0 -113.68 147.17 38.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.5 110.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 7' ' ' SER . 9.6 mt -146.99 141.65 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.63 109.245 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -133.43 157.24 46.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.59999999999999998 109.567 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 6.4 m-85 -155.44 120.53 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 2.46 111.016 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.739 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -73.57 -4.63 35.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 1.49 109.985 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 175.77 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 4.5899999999999999 110.294 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.592 ' C ' HD23 ' A' ' 29' ' ' LEU . 1.1 t-20 -121.74 -57.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 5.1299999999999999 109.315 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD23 ' C ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER 40.2 86.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 5.9000000000000004 109.242 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.862 HG22 ' CB ' ' A' ' 34' ' ' SER . 45.8 t -47.55 -95.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 5.71 109.386 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.648 ' N ' HG12 ' A' ' 30' ' ' VAL . 2.1 t 43.68 38.55 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.587 1.18 . . . . 5.2199999999999998 110.43 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -150.15 -77.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 5.1200000000000001 110.222 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 31.7 m-85 -166.23 28.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 4.3600000000000003 111.059 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.862 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.1 t -87.23 153.4 21.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 1.3300000000000001 109.944 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.42 -163.36 33.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 111.01 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.661 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.16 160.61 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.91000000000000003 109.272 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 129.37 8.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 2.8700000000000001 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.87 HD13 HG23 ' A' ' 81' ' ' VAL . 15.8 tp -89.88 138.06 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.83999999999999997 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.597 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.8 m -136.59 134.36 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.02 109.337 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.553 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.6 tmm? -86.14 92.4 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 2.7599999999999998 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.607 HG21 ' NZ ' ' A' ' 80' ' ' LYS . 8.7 t -117.99 59.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.5900000000000001 110.38 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -64.94 175.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 2.6099999999999999 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 39.83 84.57 0.18 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 4.1900000000000004 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 159.55 41.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 5.1699999999999999 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.29 -54.52 3.58 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.14 . . . . 7.4400000000000004 111.03 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 mmt -95.95 109.55 21.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 0.731 . . . . 10.99 111.046 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 65.56 76.78 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 10.710000000000001 110.35 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -87.5 84.59 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 6.3899999999999997 109.618 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -115.92 91.32 30.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 3.54 109.958 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 108.49 2.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 1.95 111.035 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.7 116.28 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 2.46 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.82 48.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.24 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -118.56 148.91 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.1799999999999999 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.97 105.05 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.2300000000000004 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.63 174.14 10.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0900000000000001 109.296 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.94 139.16 45.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.26 109.247 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.67 123.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 2.4700000000000002 109.342 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.924 ' HB2' HG23 ' A' ' 67' ' ' VAL . 23.5 m -111.25 173.02 6.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 1.8999999999999999 109.979 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.79 139.66 7.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 1.3200000000000001 110.984 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -154.11 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.841 . . . . 2.3199999999999998 110.999 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.87 -47.45 90.49 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.97 -0.852 . . . . 2.3799999999999999 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.11 156.47 37.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 2.6499999999999999 109.343 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.449 1.763 . . . . 1.8999999999999999 110.976 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -85.34 -27.81 25.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 1.97 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 m -90.96 126.98 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.87 110.355 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.408 ' HB2' ' HE2' ' A' ' 66' ' ' MET . 1.7 mpp? -125.3 149.36 48.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 1.3799999999999999 110.968 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.924 HG23 ' HB2' ' A' ' 58' ' ' SER . 0.1 OUTLIER -142.33 113.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.99 109.285 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -84.68 120.56 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.65000000000000002 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.72 101.92 12.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.82999999999999996 110.385 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.9 136.29 20.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.68999999999999995 110.986 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.79 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.29 109.269 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.07 144.13 27.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.24 109.957 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.48 10.76 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 1.1899999999999999 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.7 mt -68.55 116.02 8.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.79000000000000004 109.242 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -86.2 174.26 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.481 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.699 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.84 164.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0800000000000001 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.82 -151.84 17.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.94999999999999996 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.507 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 m -146.46 132.26 19.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.89000000000000001 110.387 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -136.2 170.4 16.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 2.3700000000000001 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.607 ' NZ ' HG21 ' A' ' 41' ' ' THR . 2.1 pttt -139.72 120.59 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 4.2400000000000002 109.283 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.87 HG23 HD13 ' A' ' 38' ' ' LEU . 3.4 t -86.57 109.63 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0700000000000001 109.35 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.53 122.07 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.6499999999999999 109.268 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.1 p-90 -118.61 158.02 26.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.69999999999999996 107.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.4 mtt180 -143.66 116.16 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 3.02 110.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -105.17 147.84 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.77000000000000002 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.1 t -146.15 116.38 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 2.4100000000000001 109.264 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.3 m -64.82 -62.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 3.3199999999999998 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.85 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 3.4199999999999999 110.044 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 77.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 5.7599999999999998 109.249 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.7 t -167.22 167.71 13.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 6.04 110.431 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -43.88 151.3 0.52 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 6.2599999999999998 109.611 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 146.15 32.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 2.3399999999999999 110.978 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.489 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 2.7 mp -107.6 75.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 2.8599999999999999 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 84' ' ' ARG . 71.0 p -85.32 142.66 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.90000000000000002 110.377 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.565 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -167.35 149.91 15.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.68999999999999995 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -135.91 152.49 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 0.812 . . . . 1.5900000000000001 110.006 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.724 HG11 ' HG2' ' A' ' 9' ' ' PRO . 16.5 t -122.85 112.08 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.66000000000000003 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 t -89.82 136.76 32.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.81000000000000005 110.363 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.9 p90 -147.76 154.62 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 1.8 111.027 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' CD ' ' OG1' ' A' ' 78' ' ' THR . 10.1 mttt -105.99 166.08 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.9500000000000002 109.242 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 76' ' ' ALA . 56.7 t -147.8 113.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.93999999999999995 109.302 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 3.0099999999999998 109.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.466 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 1.5 p-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.582 -0.525 . . . . 15.380000000000001 109.582 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.434 ' O ' HD13 ' A' ' 93' ' ' ILE . 18.2 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.544 1.813 . . . . 9.2599999999999998 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -149.97 160.16 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 5.4199999999999999 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' CB ' ' CH2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -66.9 106.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.53 109.322 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 ' H ' ' A' ' 26' ' ' SER . 55.2 t -51.57 -69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.67000000000000004 109.295 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -153.77 156.07 37.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.93999999999999995 110.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.892 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.6 p -156.72 169.04 25.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.48999999999999999 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -137.51 57.09 13.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.98999999999999999 110.393 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.973 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -74.97 -67.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.51000000000000001 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.72 44.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.53000000000000003 109.252 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.54 104.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 110.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.79 35.04 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.575 1.172 . . . . 0.92000000000000004 111.07 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.45 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.62 100.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 1.5600000000000001 109.993 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -111.26 117.31 32.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.8300000000000001 110.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.59 -39.66 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.91000000000000003 111.061 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.36 161.79 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 1.78 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -80.01 137.98 53.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.6799999999999999 109.308 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 135.68 19.55 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 1.5800000000000001 111.027 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.81 -47.98 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0900000000000001 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.84 156.46 40.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 3.0699999999999998 109.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -93.04 145.08 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.5 109.218 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' OE2' ' NE2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -112.91 151.69 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 2.8399999999999999 110.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -147.32 144.2 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 59.7 m-70 -133.89 157.48 45.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.1200000000000001 109.58 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' CD2' ' A' ' 1' ' ' HIS . 36.1 m-85 -155.46 104.86 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 2.25 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.518 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -69.71 -18.02 63.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 2.0899999999999999 109.994 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -138.12 101.17 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 4.4100000000000001 110.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.703 ' C ' HD23 ' A' ' 29' ' ' LEU . 19.0 t-20 -159.47 -63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 3.5600000000000001 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.703 HD23 ' C ' ' A' ' 28' ' ' ASN . 1.2 pt? 41.29 29.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 8.3699999999999992 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 ' N ' ' C ' ' A' ' 28' ' ' ASN . 2.7 t -122.4 138.01 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 4.9699999999999998 109.244 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -39.3 -71.24 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 7.4100000000000001 110.455 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER 167.56 94.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 12.65 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.8 m-85 -104.38 15.97 27.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 9.0500000000000007 110.972 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' A' ' 85' ' ' ALA . 7.3 p -129.07 175.76 8.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.8 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.37 -169.12 18.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.88 111.017 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.36 174.87 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.1699999999999999 109.341 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mtpt -155.87 132.18 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 3.8300000000000001 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 39' ' ' VAL . 9.3 tp -99.8 140.93 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 1.0700000000000001 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -136.0 132.53 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 1.1299999999999999 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.562 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.47 97.37 10.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 2.0499999999999998 110.973 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 41' ' ' THR . 11.5 t -102.67 59.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 1.3999999999999999 110.398 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.86 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.281 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.8 mtp -116.69 153.82 49.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 5.4100000000000001 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.814 . . . . 4.71 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.32 -72.15 2.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 3.77 110.995 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.56 89.88 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 4.7199999999999998 110.979 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 39.74 70.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 6.6200000000000001 110.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.2 m80 53.55 87.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 6.8399999999999999 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.08 79.86 34.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.5499999999999998 110.01 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.3 25.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.96 111.006 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 8.7 mmt -131.14 151.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 3.54 111.027 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.71 140.6 29.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.27 109.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG11 HD23 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.6 158.2 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.3600000000000001 109.27 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -91.09 128.88 37.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 6.4199999999999999 109.276 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -152.82 173.83 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 1.04 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.84 148.17 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.77000000000000002 109.326 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.753 HG12 HG13 ' A' ' 68' ' ' ILE . 12.6 m -113.51 121.14 65.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 1.8 109.332 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -119.9 175.37 5.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.22 110.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.9 150.06 20.04 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 1.1699999999999999 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.73 -160.73 7.87 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 2.1099999999999999 111.038 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.74 -27.03 54.94 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.837 . . . . 2.21 111.006 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -115.07 148.2 40.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 2.6400000000000001 109.291 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -1.37 11.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 1.3500000000000001 110.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -20.63 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 3.1400000000000001 109.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -107.24 124.28 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.92000000000000004 110.375 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.526 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.47 155.99 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.27 110.993 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.36 122.7 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 1.79 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.819 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -93.1 124.89 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.56000000000000005 109.26 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -127.96 101.22 23.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.69999999999999996 110.381 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.08 135.16 18.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.84999999999999998 110.967 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.56 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0600000000000001 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -76.75 144.51 73.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 1.8799999999999999 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.563 1.823 . . . . 1.72 110.978 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.35 116.59 22.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.76000000000000001 109.31 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.7 p -100.75 167.96 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.59999999999999998 110.401 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.13 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.62 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.88 -152.32 16.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.398 1.061 . . . . 0.52000000000000002 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.487 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.3 m -135.46 134.82 39.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 0.783 . . . . 0.72999999999999998 110.359 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -138.77 158.69 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.8600000000000001 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' A' ' 96' ' ' SER . 1.6 tttp -134.3 111.61 10.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.6299999999999999 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.573 ' CG2' HD13 ' A' ' 38' ' ' LEU . 29.5 t -85.69 111.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.76000000000000001 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.58 117.26 33.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.3999999999999999 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.8 p-90 -104.7 141.03 37.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.76000000000000001 108.04 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 94' ' ' THR . 2.4 mpt_? -117.44 110.45 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 3.54 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.725 ' HB3' HG23 ' A' ' 93' ' ' ILE . . . -94.52 86.09 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 1.73 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 33' ' ' PHE . 2.6 p -86.46 136.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 4.0800000000000001 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p 177.34 161.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 4.8200000000000003 110.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.37 -171.0 0.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 5.0999999999999996 109.989 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -80.8 103.45 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 7.4000000000000004 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p 44.18 -161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 6.9500000000000002 110.411 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 3.4 t-160 45.04 64.18 8.04 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 5.0700000000000003 109.564 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.96 -172.56 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 2.1200000000000001 110.947 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -139.56 114.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 3.7599999999999998 109.242 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 84' ' ' ARG . 77.0 p -115.38 167.63 10.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 1.21 110.411 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.3 174.44 29.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.82999999999999996 111.027 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.45 ' CB ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -146.18 144.72 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 0.711 . . . . 1.3999999999999999 109.994 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.973 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -133.44 101.32 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.57999999999999996 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 t -84.75 142.07 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.84999999999999998 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 26.5 p90 -158.17 146.55 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 1.75 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -97.18 171.09 8.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 2.54 109.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 76' ' ' ALA . 32.0 t -142.51 124.95 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.68000000000000005 109.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.3500000000000001 109.292 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.59 -0.522 . . . . 13.01 109.59 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.97 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.808 . . . . 9.2799999999999994 110.992 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.13 158.86 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 8.6999999999999993 109.272 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.1 tm? -54.64 105.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 1.51 109.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 26' ' ' SER . 53.6 t -55.52 -66.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.93999999999999995 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -155.81 150.67 26.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 1.01 109.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.917 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.4 p -156.96 166.01 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.69999999999999996 109.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 8' ' ' THR . 7.3 m -137.64 59.33 19.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.1200000000000001 110.457 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.833 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.05 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.72999999999999998 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 47.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.57999999999999996 109.248 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -42.54 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.3700000000000001 110.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.53 34.32 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 1.01 110.961 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.627 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 m -69.71 98.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 1.1599999999999999 110.026 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 28.7 mt-10 -109.04 122.51 47.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 1.8899999999999999 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.85 -46.4 0.62 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 1.1100000000000001 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.56 162.32 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 1.7 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.52 137.32 36.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 1.4399999999999999 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.458 1.767 . . . . 1.3899999999999999 111.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.92 -50.28 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.276 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 157.63 37.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 3.48 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.75 139.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.48999999999999999 109.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.6 mt-10 -109.29 147.7 32.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 2.75 110.296 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.917 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.4 mt -147.55 141.05 25.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -133.45 150.93 51.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0900000000000001 109.607 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 14.1 m-85 -155.53 128.04 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 2.2999999999999998 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.444 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -69.97 -15.14 62.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 1.6200000000000001 110.031 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 174.04 83.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 5.2699999999999996 110.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 3.4 p-10 -100.68 -41.25 6.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 5.2699999999999996 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 31' ' ' THR . 0.9 OUTLIER 36.84 72.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 6.0599999999999996 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.772 HG13 ' HB3' ' A' ' 34' ' ' SER . 27.9 t -40.4 -91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 5.6299999999999999 109.278 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.634 ' N ' HG12 ' A' ' 30' ' ' VAL . 12.4 t 38.06 30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 5.3399999999999999 110.442 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -158.08 52.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 5.2300000000000004 110.312 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 43.67 60.66 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 5.6699999999999999 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.772 ' HB3' HG13 ' A' ' 30' ' ' VAL . 32.8 t -117.36 168.87 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 1.8400000000000001 110.028 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.0 -144.1 11.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 1.55 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -154.97 172.95 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 1.1399999999999999 109.369 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -155.48 128.62 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 3.9700000000000002 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 ' H ' ' A' ' 39' ' ' VAL . 7.3 tp -90.23 141.89 28.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.75 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.767 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.9 m -138.51 133.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.81000000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.8 ttm -91.72 97.9 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 2.79 111.032 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 41' ' ' THR . 9.8 t -113.83 59.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.93000000000000005 110.411 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.685 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -81.14 136.61 35.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 3.0800000000000001 109.286 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 31.4 ttm 65.37 136.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 5.1600000000000001 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.3 Cg_endo -74.99 76.29 3.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 3.2599999999999998 110.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.28 -62.13 4.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 3.1600000000000001 110.951 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.8 mmm -133.86 175.12 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 6.8799999999999999 111.077 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.67 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 7.9100000000000001 110.315 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' MET . 28.0 m-70 49.34 84.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 6.5300000000000002 109.554 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.68 76.26 74.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 2.6699999999999999 109.953 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 2.1000000000000001 110.965 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.3 mtp -110.86 108.95 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 2.21 110.998 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 138.91 45.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.93999999999999995 109.256 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.4 p -106.09 168.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.83999999999999997 109.339 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.5 mttp -91.83 93.34 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 4.2800000000000002 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.89 175.32 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.59999999999999998 109.332 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.31 154.62 46.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.67000000000000004 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.9 127.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.8899999999999999 109.272 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -140.56 130.96 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.26 110.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.35 165.36 54.82 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.541 1.15 . . . . 1.1899999999999999 111.009 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.32 52.23 0.79 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.942 -0.863 . . . . 2.96 110.942 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.17 -62.6 0.44 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.836 . . . . 2.0800000000000001 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.33 154.99 37.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.79 . . . . 2.5499999999999998 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.33 9.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.27 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -84.86 -39.65 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 2.6600000000000001 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -100.16 129.25 46.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.25 110.423 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.514 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.83 154.27 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.46 111.037 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -146.15 119.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.75 109.28 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -93.18 122.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.46999999999999997 109.368 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.31 110.07 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.55000000000000004 110.415 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.94 135.46 19.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.62 111.077 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.86 -20.7 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.88 109.349 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 152.58 42.23 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.1 . . . . 0.85999999999999999 109.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.61 16.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.90000000000000002 110.972 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.9 116.16 22.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.93000000000000005 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 p -101.83 166.44 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0600000000000001 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.757 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.64 154.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.95999999999999996 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.93 -155.55 22.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.985 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.685 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.6 m -141.33 130.08 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.91000000000000003 110.456 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.62 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.7 m-85 -134.27 175.11 9.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.394 1.059 . . . . 1.75 110.952 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.24 115.62 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 2.52 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.41 HG22 HD13 ' A' ' 38' ' ' LEU . 52.6 t -85.16 106.67 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.65000000000000002 109.362 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -93.95 110.08 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 2.3700000000000001 109.228 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 50.2 p-90 -105.76 154.22 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.045 -1.095 . . . . 0.83999999999999997 108.045 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -147.66 131.62 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 3.5800000000000001 110.363 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.7 128.51 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.91000000000000003 109.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 t -125.86 126.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 2.9100000000000001 109.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 25.8 t -115.84 -55.48 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 3.3900000000000001 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -168.44 168.11 11.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 4.3799999999999999 109.948 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 71.83 168.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 6.6200000000000001 109.279 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.5 p -97.26 56.39 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.367 1.042 . . . . 7.29 110.383 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -167.63 67.63 0.84 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 5.04 109.565 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -165.6 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.584 1.834 . . . . 1.77 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 93' ' ' ILE . 5.8 mm -120.47 143.16 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 4.1299999999999999 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 p -118.81 168.83 10.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 1.1399999999999999 110.439 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -168.89 160.58 34.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.421 1.075 . . . . 0.76000000000000001 111.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.77 140.77 22.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 1.1499999999999999 110.018 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.833 HG11 ' HG2' ' A' ' 9' ' ' PRO . 20.2 t -128.12 103.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.57999999999999996 109.351 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -84.45 141.43 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.71999999999999997 110.379 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -152.83 149.02 27.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.9099999999999999 111.044 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.4 mtpt -104.19 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 2.9199999999999999 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 76' ' ' ALA . 73.0 t -144.29 122.09 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.60999999999999999 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 2.4700000000000002 109.302 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.603 -0.517 . . . . 9.5800000000000001 109.603 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.1 Cg_endo -74.97 -88.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.436 1.756 . . . . 4.7300000000000004 111.028 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -149.5 147.71 28.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 5.7800000000000002 109.351 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -53.21 174.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.95999999999999996 109.281 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.748 HG21 ' H ' ' A' ' 26' ' ' SER . 65.1 t -58.95 -80.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.78000000000000003 109.318 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.33 149.9 38.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.81000000000000005 110.012 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.916 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.3 p -156.24 165.08 37.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.52000000000000002 110.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.518 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m -137.87 58.58 16.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.1299999999999999 110.374 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.799 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.91 -63.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.53000000000000003 111.083 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 167.65 46.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.68000000000000005 109.3 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.7 OUTLIER -44.72 110.99 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 3.23 110.294 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 35.24 3.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 111.001 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.737 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -69.69 93.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 1.3799999999999999 110.031 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.39 122.84 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 2.1000000000000001 110.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.92 -47.16 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.93000000000000005 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.03 166.4 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 1.74 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.93 137.72 79.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.3700000000000001 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.92 29.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 1.3600000000000001 110.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -53.46 55.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.70999999999999996 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.32 146.7 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 3.3199999999999998 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.3 143.2 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.46000000000000002 109.318 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.3 tt0 -117.33 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 1.5900000000000001 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.5 mt -147.47 145.08 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 109.361 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.9 m-70 -137.23 158.84 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.55 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 29.8 m-85 -155.0 108.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.21 110.999 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.748 ' H ' HG21 ' A' ' 5' ' ' VAL . 42.5 t -70.98 -7.9 49.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.8400000000000001 110.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 3.5 mt-10 -108.94 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 4.1900000000000004 110.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.858 ' OD1' HG23 ' A' ' 30' ' ' VAL . 5.9 t-20 160.6 154.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 3.9700000000000002 109.251 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.858 HD11 ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -104.9 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 6.6900000000000004 109.238 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.858 HG23 ' OD1' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 56.13 163.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 4.2199999999999998 109.343 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' THR . 9.8 t -115.42 60.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 4.04 110.458 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 88' ' ' SER . 0.0 OUTLIER -113.53 -66.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 4.9900000000000002 110.278 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -139.25 58.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 4.8700000000000001 110.998 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 t -126.27 150.84 48.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.51 109.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.86 167.52 31.32 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.468 1.105 . . . . 1.02 111.05 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.99 153.43 51.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.64000000000000001 109.314 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -151.71 124.18 8.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 3.5600000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.985 HD13 HG22 ' A' ' 81' ' ' VAL . 10.9 tp -96.42 129.52 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.93999999999999995 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -124.79 136.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.68000000000000005 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.0 ttm -86.64 96.38 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 2.2200000000000002 110.929 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 t -103.83 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 1.0700000000000001 110.461 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.35 -57.55 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.314 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -133.08 164.76 41.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 4.5700000000000003 111.023 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 4.2800000000000002 111.003 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.99 -60.27 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 4.8099999999999996 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.12 85.32 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.49 0.759 . . . . 5.5899999999999999 110.947 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.22 66.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 6.04 110.27 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t60 63.92 79.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 5.6200000000000001 109.628 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.94 80.28 7.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 2.6099999999999999 110.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.521 1.8 . . . . 1.8999999999999999 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -112.8 126.98 56.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 2.2999999999999998 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 148.78 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.1799999999999999 109.242 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.53 123.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.3200000000000001 109.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -56.44 104.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 3.6000000000000001 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -135.27 169.62 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.63 109.236 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.41 143.24 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.70999999999999996 109.29 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -99.09 127.24 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 2.02 109.339 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -140.95 135.36 31.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0600000000000001 109.976 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -70.66 166.46 51.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 1.1599999999999999 110.943 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.51 -114.06 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.939 -0.865 . . . . 2.29 110.939 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.17 24.41 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 3.1200000000000001 110.963 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.25 155.61 2.27 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.444 0.732 . . . . 2.6000000000000001 109.317 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.858 ' O ' HD11 ' A' ' 29' ' ' LEU . 18.4 Cg_endo -75.0 -5.87 17.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 1.49 111.014 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HA ' HD11 ' A' ' 29' ' ' LEU . 9.4 pttm -95.29 -18.46 20.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 2.77 109.236 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.456 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.1 m -108.79 120.87 43.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.64000000000000001 110.405 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.469 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.52 159.85 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.49 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -149.87 120.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.8200000000000001 109.271 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.31 120.0 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.53000000000000003 109.218 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.87 110.79 33.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.545 1.153 . . . . 0.62 110.387 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.32 18.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.51000000000000001 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.69 -23.61 61.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.88 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.4 148.35 38.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.79000000000000004 109.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 128.54 11.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.72999999999999998 110.946 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.779 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.5 mt -77.18 115.57 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.70999999999999996 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -90.72 173.59 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.84999999999999998 110.408 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -46.91 163.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.76000000000000001 109.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -154.58 16.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.68000000000000005 110.938 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.585 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.6 m -127.91 143.49 51.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.75 110.404 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.798 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -143.52 156.73 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 2.0299999999999998 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.79 117.37 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.0699999999999998 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.985 HG22 HD13 ' A' ' 38' ' ' LEU . 52.1 t -97.24 101.07 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.56000000000000005 109.275 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -88.19 126.64 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.6899999999999999 109.253 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.51 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 20.5 p-90 -123.9 157.37 34.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.48999999999999999 108.064 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 4.1 mtm105 -146.38 126.68 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 3.96 110.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -113.4 165.62 12.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.80000000000000004 109.274 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 29' ' ' LEU . 7.3 p -135.6 146.39 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 2.9500000000000002 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -91.76 -53.49 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 3.46 110.033 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.508 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 8.3 t -145.43 -59.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 3.7400000000000002 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -158.88 -48.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 7.3300000000000001 109.269 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.57 64.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 4.4000000000000004 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.92 68.23 2.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 7.75 109.635 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.36 3.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 2.5899999999999999 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.06 96.88 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 2.9199999999999999 109.336 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.8 p -88.55 152.67 21.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 1.23 110.397 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -177.25 160.09 26.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.58999999999999997 111.026 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.5 156.3 41.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.804 . . . . 0.79000000000000004 109.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' HG2' ' A' ' 9' ' ' PRO . 57.4 t -131.68 102.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.66000000000000003 109.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.473 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.9 t -85.81 142.26 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.56000000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -152.16 153.77 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 1.79 110.98 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -107.78 161.68 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 2.5800000000000001 109.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.731 HG13 ' N ' ' A' ' 17' ' ' ALA . 47.8 t -135.23 121.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 2.75 109.296 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.607 -0.516 . . . . 9.3200000000000003 109.607 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.01 0.45 8.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 4.8399999999999999 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 155.29 34.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 4.6799999999999997 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -58.02 160.1 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.87 109.34 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG21 ' H ' ' A' ' 26' ' ' SER . 92.5 t -57.69 -83.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.75 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -134.45 149.55 50.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.448 1.093 . . . . 0.54000000000000004 109.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.9 p -157.34 165.45 35.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.40999999999999998 109.96 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.509 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.8 m -138.22 59.21 17.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.52000000000000002 110.384 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.809 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.07 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.42999999999999999 110.96 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . -177.5 44.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.271 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.51 107.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 3.6299999999999999 110.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.94 36.16 1.79 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.427 1.079 . . . . 0.87 111.012 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.657 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.52 96.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 1.23 110.017 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.64 124.88 52.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 2.2400000000000002 110.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.52 -43.01 1.04 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.448 1.093 . . . . 1.0600000000000001 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.14 161.59 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 1.8 109.351 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -83.76 136.25 42.11 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 1.47 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.99 152.55 40.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 1.24 111.025 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.13 25.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -155.2 153.35 30.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 2.6299999999999999 109.258 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -85.15 142.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.45000000000000001 109.262 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -117.21 150.62 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.74 110.257 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.59 143.55 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.48999999999999999 109.266 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -133.45 156.02 48.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.68999999999999995 109.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 5.7 m-85 -153.53 118.79 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 2.5699999999999998 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.668 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -73.88 -4.74 36.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.54 109.975 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.5 90.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 4.7800000000000002 110.365 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.905 ' C ' HD23 ' A' ' 29' ' ' LEU . 3.0 t-20 -138.91 -53.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 5.2599999999999998 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.905 HD23 ' C ' ' A' ' 28' ' ' ASN . 1.1 pt? 43.46 88.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 5.96 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 34' ' ' SER . 75.6 t -46.19 -93.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 5.7699999999999996 109.286 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.505 ' N ' HG12 ' A' ' 30' ' ' VAL . 10.6 t 38.62 32.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 4.9000000000000004 110.379 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' VAL . 1.2 mp0 -138.29 -83.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 4.9699999999999998 110.33 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -161.04 28.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 4.1699999999999999 111.018 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.753 ' HB3' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -84.49 150.85 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.5 110.026 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.17 -171.27 41.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.77000000000000002 110.986 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -150.69 162.04 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.60999999999999999 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -155.29 128.71 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.343 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 81' ' ' VAL . 9.6 tp -98.75 143.09 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.67000000000000004 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.845 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -136.2 138.09 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.91000000000000003 109.327 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.37 96.95 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.4300000000000002 111.019 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.4 t -111.06 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.22 110.369 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.63 -54.05 5.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 2.0299999999999998 109.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.78 108.82 59.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.6600000000000001 111.045 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.78 11.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 4.6500000000000004 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.58 62.0 4.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 4.6600000000000001 111.033 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -149.17 63.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 5.7599999999999998 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 41.77 28.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 5.9299999999999997 110.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' MET . 7.4 m80 54.91 83.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 5.6600000000000001 109.513 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.18 78.15 73.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 2.3199999999999998 109.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 142.24 27.37 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.508 1.793 . . . . 1.5800000000000001 110.985 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.73 107.47 18.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 2.8399999999999999 111.005 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.78 143.84 24.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.92000000000000004 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.2 p -111.72 150.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.93000000000000005 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 93.59 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 4.4100000000000001 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -135.02 174.4 10.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.75 109.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.66 138.53 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.63 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.92 130.43 45.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 1.9399999999999999 109.218 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 m -119.7 175.27 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.6599999999999999 109.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 138.89 8.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.168 . . . . 1.6799999999999999 110.971 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.44 -150.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.993 -0.843 . . . . 2.8900000000000001 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.0 96.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.996 -0.842 . . . . 2.8100000000000001 110.996 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -107.63 160.62 26.03 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 4.6900000000000004 109.307 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.49 10.03 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.48 1.779 . . . . 2.7000000000000002 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -84.88 -32.9 22.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 2.3399999999999999 109.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -91.2 119.37 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.05 110.375 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.709 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.9 mpp? -113.16 152.76 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.49 110.946 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.36 109.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.8700000000000001 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -85.11 123.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.58999999999999997 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.559 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.65 105.94 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.56999999999999995 110.415 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.39 19.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.52000000000000002 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.55 87.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.03 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.4 150.02 38.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.1699999999999999 109.968 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 128.12 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 1.0800000000000001 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.3 mt -70.47 116.83 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -88.89 174.3 8.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.84999999999999998 110.416 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.8 178.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.84999999999999998 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.05 -147.71 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.80000000000000004 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.727 HG23 ' HG2' ' A' ' 100' ' ' LYS . 97.2 m -140.86 143.36 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.737 . . . . 1.1000000000000001 110.354 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.4 m-85 -144.98 161.79 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.8799999999999999 110.887 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -137.45 114.25 10.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 2.1600000000000001 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.947 HG22 HD13 ' A' ' 38' ' ' LEU . 40.0 t -85.48 152.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.6200000000000001 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -135.09 123.52 23.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.9299999999999999 109.371 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.584 ' HZ3' HG22 ' A' ' 93' ' ' ILE . 44.3 p-90 -117.37 157.42 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.57999999999999996 107.977 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HG2' HG22 ' A' ' 94' ' ' THR . 4.8 mpp_? -145.75 116.17 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.482 ' HB1' ' ND2' ' A' ' 28' ' ' ASN . . . -101.91 142.69 32.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.77000000000000002 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.74 106.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 2.3599999999999999 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.9 p -55.38 179.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 3.6200000000000001 109.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -93.02 44.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 4.3300000000000001 109.994 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 89' ' ' ASP . 16.2 t0 -153.26 -72.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 5.3099999999999996 109.314 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' PRO . 10.1 t -174.45 -43.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.4900000000000002 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.3 99.68 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 5.96 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.04 157.17 42.77 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 2.27 110.951 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.584 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 35.1 mm -137.15 129.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 2.5699999999999998 109.255 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.557 HG22 ' HG2' ' A' ' 84' ' ' ARG . 67.9 p -130.45 147.65 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.71999999999999997 110.466 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 159.75 32.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.58999999999999997 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -138.06 154.3 49.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.96999999999999997 109.969 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.809 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -131.66 111.0 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.68999999999999995 109.228 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -90.28 142.86 27.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.62 110.415 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.7 p90 -157.57 148.63 21.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.95 111.052 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.727 ' HG2' HG23 ' A' ' 78' ' ' THR . 6.7 mtmt -107.47 168.89 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 2.8100000000000001 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 16' ' ' ALA . 57.8 t -143.8 127.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.68000000000000005 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 2.52 109.326 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.615 -0.513 . . . . 8.8499999999999996 109.615 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 5.5499999999999998 111.057 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -149.7 125.35 10.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 4.6600000000000001 109.304 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.42 173.22 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.82999999999999996 109.299 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 6' ' ' SER . 20.4 t -56.56 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.68000000000000005 109.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.554 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -143.63 149.88 37.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.5 110.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.933 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.8 p -157.56 166.32 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.35999999999999999 110.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m -136.74 58.19 18.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.79000000000000004 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.715 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.64000000000000001 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.42 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.70999999999999996 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -50.06 109.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 2.6400000000000001 110.297 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.34 56.28 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.3300000000000001 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.49 129.27 54.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 2.3500000000000001 109.959 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -101.39 137.19 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 4.21 110.358 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -156.39 -117.63 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 1.97 110.975 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.19 84.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 4.5199999999999996 109.303 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 65.51 90.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 2.9199999999999999 109.315 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -74.92 -172.09 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 2.2200000000000002 111.001 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.72 -71.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.82999999999999996 109.333 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 152.27 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 2.71 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -85.08 145.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.62 109.294 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.01 148.13 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.9300000000000002 110.252 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.6 mt -148.9 147.09 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.471 1.107 . . . . 0.47999999999999998 109.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 4' ' ' LEU . 50.6 m-70 -138.62 152.51 48.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.53000000000000003 109.606 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 74.0 m-85 -150.56 96.13 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 2.2200000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -70.19 -6.8 37.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.0499999999999998 110.012 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.78 89.97 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 4.1399999999999997 110.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -156.31 -77.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 3.7400000000000002 109.297 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 41.16 38.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 7.4299999999999997 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.36 133.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 4.8899999999999997 109.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 31' ' ' THR . 6.2 t -115.63 54.69 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 3.6699999999999999 110.408 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -99.75 -77.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 4.71 110.363 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 5.9 m-85 -116.9 56.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 4.3099999999999996 111.019 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.4 p -120.84 116.87 26.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 2.5499999999999998 109.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.53 -174.17 38.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.97999999999999998 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -153.75 164.03 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.68000000000000005 109.263 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 123.98 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 2.6299999999999999 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 74' ' ' LEU . 8.4 tp -86.98 140.49 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.256 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -139.23 132.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.51 1.131 . . . . 0.84999999999999998 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -84.76 94.35 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 3.3199999999999998 110.992 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 41' ' ' THR . 9.9 t -119.51 59.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.4199999999999999 110.373 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.6499999999999999 109.335 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.4 ptm -39.88 157.68 0.15 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.065 . . . . 4.7400000000000002 110.961 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.93 38.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 4.3600000000000003 111.009 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.6 -60.69 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 4.4199999999999999 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.94 91.51 3.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 8.4700000000000006 110.993 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 67.18 78.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 11.82 110.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -85.47 73.92 10.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 5.7400000000000002 109.611 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 m -139.52 130.62 14.67 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 2.4500000000000002 110.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 2.3599999999999999 111.01 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 mtp -96.16 106.94 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 2.29 110.955 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -47.51 142.19 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 1.25 109.269 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.8 p -108.04 167.4 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 1.02 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -86.35 81.9 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 3.9500000000000002 109.356 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -122.13 174.78 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.67000000000000004 109.281 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.11 143.0 26.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.80000000000000004 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG12 HG13 ' A' ' 68' ' ' ILE . 33.4 m -100.61 130.08 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.299 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -140.06 133.53 30.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.1899999999999999 110.022 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.88 158.01 50.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 1.0800000000000001 111.002 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.29 -125.36 1.04 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.933 -0.867 . . . . 2.1499999999999999 110.933 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.2 33.82 4.9 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.856 . . . . 3.4300000000000002 110.959 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -179.24 151.4 0.64 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 2.52 109.269 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 1.5800000000000001 110.977 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.26 -12.62 32.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 1.95 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -110.15 125.1 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.75 110.437 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.481 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.9 149.77 28.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.946 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 75.0 t -144.82 115.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 1.76 109.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.773 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.13 119.78 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.31 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.77 101.15 20.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.5 110.399 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 137.21 21.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.62 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.55 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.69999999999999996 109.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.85 142.47 25.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.611 1.194 . . . . 0.80000000000000004 110.002 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 134.95 18.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.761 . . . . 0.93000000000000005 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 38' ' ' LEU . 24.5 mt -66.95 116.13 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.1000000000000001 109.348 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ALA . 45.5 p -87.56 160.26 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 1.1100000000000001 110.404 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.57 140.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.1799999999999999 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.57 -154.66 22.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.75 111.004 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.551 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -135.8 143.06 45.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 0.92000000000000004 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 m-85 -143.35 175.22 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 2.1099999999999999 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 125.69 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 2.5099999999999998 109.244 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 38' ' ' LEU . 89.2 t -96.32 113.16 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.57999999999999996 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.76 113.03 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.79 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -108.51 161.12 15.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 0.46999999999999997 107.981 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 94' ' ' THR . 6.1 mtp-105 -148.43 118.65 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 5.8399999999999999 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.61 ' HB3' ' CG1' ' A' ' 93' ' ' ILE . . . -100.33 162.09 13.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.91000000000000003 109.308 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 33' ' ' PHE . 8.3 p -129.7 153.01 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.4300000000000002 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.9 t -124.35 -61.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 3.4500000000000002 110.021 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 3.48 109.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.655 ' O ' HG22 ' A' ' 90' ' ' THR . 0.3 OUTLIER 59.8 -177.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 6.1100000000000003 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 89' ' ' ASP . 12.7 t 47.76 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 4.2999999999999998 110.446 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -79.37 149.0 71.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 8.9600000000000009 109.582 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HG2' ' NH2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 3.0800000000000001 111.016 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.61 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 46.4 pt -97.14 121.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.1299999999999999 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 84' ' ' ARG . 72.3 p -93.08 150.85 20.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.81000000000000005 110.394 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.533 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -154.71 155.5 26.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.35 147.51 39.92 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 0.744 . . . . 0.88 110.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 9' ' ' PRO . 46.3 t -136.59 103.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.55000000000000004 109.28 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.1 t -86.44 137.21 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.63 110.329 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 19.7 p90 -144.76 157.22 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.0099999999999998 110.976 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -103.65 164.85 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 3.0800000000000001 109.34 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 5.0 t -148.11 115.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0900000000000001 109.248 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.6 mmtt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 2.9100000000000001 109.316 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.564 -0.532 . . . . 11.199999999999999 109.564 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.0 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 5.25 111.007 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -149.87 150.31 31.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 6.1399999999999997 109.307 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.07 171.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.05 109.299 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.741 HG21 ' H ' ' A' ' 26' ' ' SER . 79.3 t -54.21 -79.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.593 1.183 . . . . 0.85999999999999999 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -148.55 144.75 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.77000000000000002 110.005 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 23' ' ' LEU . 60.4 p -155.92 165.37 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.35999999999999999 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 56.4 m -137.18 57.83 16.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.55000000000000004 110.367 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -62.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.45000000000000001 110.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.43 47.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.40999999999999998 109.247 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -42.17 107.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 2.1200000000000001 110.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.59 37.28 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.78000000000000003 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.421 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -73.15 100.55 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 1.21 109.998 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.85 119.95 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 2.29 110.222 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.34 -49.72 0.4 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.413 1.071 . . . . 1.1100000000000001 111.026 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.46 172.58 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 1.8899999999999999 109.265 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.02 134.98 42.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 1.51 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.71 12.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 1.1799999999999999 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.15 -53.91 11.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.71999999999999997 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 151.24 29.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 2.48 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.76 139.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.44 109.29 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 tt0 -110.9 148.13 33.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.8600000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.21 143.12 27.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.486 1.116 . . . . 0.56000000000000005 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.563 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 53.8 m-70 -140.26 158.68 43.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.81000000000000005 109.567 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CD2' HD13 ' A' ' 29' ' ' LEU . 17.2 m-85 -155.24 110.57 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 2.1600000000000001 111.06 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.741 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.6 m -69.44 -8.13 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.8899999999999999 109.957 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' OE2' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -115.04 145.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 6.46 110.275 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -42.73 131.0 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 5.5 109.27 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.78 HD23 ' HE1' ' A' ' 66' ' ' MET . 15.5 tp -119.18 84.28 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 7.2300000000000004 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 31' ' ' THR . 0.9 OUTLIER -71.13 162.21 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 4.3899999999999997 109.327 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 31' ' ' THR . 10.5 t -100.22 56.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.603 1.19 . . . . 4.1799999999999997 110.349 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.512 ' CB ' HG21 ' A' ' 86' ' ' VAL . 1.8 mm-40 -98.93 -44.1 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 5.6299999999999999 110.332 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.824 ' HB2' HG23 ' A' ' 86' ' ' VAL . 40.9 m-85 -149.59 21.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 4.4199999999999999 111.058 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 t -92.81 145.45 24.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.54 110.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.59 -173.84 45.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.98999999999999999 111.0 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.29 153.9 31.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.71999999999999997 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -152.31 124.15 7.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 2.79 109.264 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 39' ' ' VAL . 5.0 tp -95.33 129.9 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.73999999999999999 109.303 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.731 ' N ' HD12 ' A' ' 38' ' ' LEU . 33.6 m -124.58 138.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.68000000000000005 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.7 tmm? -93.0 95.58 9.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 2.23 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.5 t -115.05 73.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.03 110.41 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -39.97 -55.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 2.23 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.34 116.48 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 6.5199999999999996 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 124.78 8.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 4.4199999999999999 110.99 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.03 -55.15 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 4.04 110.994 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 81.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 9.3599999999999994 111.063 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 42.29 81.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 13.26 110.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 89.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 12.98 109.59 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.45 160.29 48.33 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 3.4700000000000002 110.04 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.04 7.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 1.8 111.079 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtt -124.83 151.94 44.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.178 . . . . 3.0299999999999998 110.936 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.33 151.4 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.94999999999999996 109.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.6 p -105.41 165.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.277 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -88.51 100.74 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 3.6200000000000001 109.233 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -147.5 172.2 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.81999999999999995 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.03 141.58 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.66000000000000003 109.342 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.0 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.98 109.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.4 m -131.59 138.34 48.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.03 109.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.42 163.09 23.8 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.56 1.163 . . . . 0.96999999999999997 111.001 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.96 71.36 0.29 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.939 -0.864 . . . . 1.9299999999999999 110.939 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 -65.76 1.18 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.958 -0.857 . . . . 3.04 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -74.23 139.84 75.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 2.2400000000000002 109.283 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.22 12.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 1.4399999999999999 111.032 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.55 -15.52 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 2.8399999999999999 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -107.58 133.68 51.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.05 110.413 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.78 ' HE1' HD23 ' A' ' 29' ' ' LEU . 1.9 mpp? -133.32 147.64 51.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.55 110.977 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -146.33 117.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.8899999999999999 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.503 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -86.22 126.93 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.53000000000000003 109.265 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -128.68 111.61 19.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.58999999999999997 110.424 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 134.67 18.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.53 1.805 . . . . 0.78000000000000003 111.074 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.64 -21.67 59.32 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.549 1.155 . . . . 0.77000000000000002 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.25 156.88 45.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 110.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.32 12.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.789 . . . . 0.87 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.5 mt -76.18 115.96 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.70999999999999996 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 p -85.3 163.34 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.1599999999999999 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.88 109.33 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.01 -153.15 17.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.76000000000000001 111.012 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 69.5 m -131.27 140.17 49.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.88 110.4 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -139.98 168.55 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 1.99 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -140.64 122.49 15.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 2.8599999999999999 109.35 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.586 HG22 HD13 ' A' ' 38' ' ' LEU . 94.3 t -98.48 101.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.64000000000000001 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.1 120.25 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 1.8899999999999999 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.499 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.0 p-90 -116.93 159.09 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.54000000000000004 108.072 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HG2' HG22 ' A' ' 94' ' ' THR . 86.5 mtt180 -145.24 144.41 30.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 3.2799999999999998 110.37 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.996 ' HB3' ' CG2' ' A' ' 93' ' ' ILE . . . -124.65 155.29 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.824 HG23 ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -107.16 174.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 3.4399999999999999 109.321 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.411 ' H ' HG22 ' A' ' 86' ' ' VAL . 86.9 p -125.84 -173.84 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 4.54 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -54.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 4.2599999999999998 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.67 -68.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 6.8099999999999996 109.341 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.3 t -171.59 179.49 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 4.3799999999999999 110.415 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.84 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 4.8700000000000001 109.648 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 2.0899999999999999 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.996 ' CG2' ' HB3' ' A' ' 85' ' ' ALA . 14.7 tt -137.71 137.36 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 3.3199999999999998 109.256 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 84' ' ' ARG . 44.4 p -122.85 138.24 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.96999999999999997 110.441 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.499 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.38 163.12 31.87 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.70999999999999996 111.021 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.86 156.8 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 1.1899999999999999 109.983 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.763 HG11 ' HG2' ' A' ' 9' ' ' PRO . 21.4 t -131.44 110.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.52000000000000002 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.46 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 14.0 t -88.7 141.32 28.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.68000000000000005 110.399 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.1 p90 -151.01 149.93 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.9099999999999999 110.964 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -102.76 166.27 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 5.3099999999999996 109.218 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.7 t -144.94 112.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.70999999999999996 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 2.7999999999999998 109.311 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.638 -0.504 . . . . 11.44 109.638 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.4 31.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 4.5800000000000001 111.009 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -131.96 165.28 24.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 4.96 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.31 174.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.92000000000000004 109.302 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.43 -78.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.284 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -144.82 149.86 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.67000000000000004 110.027 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.931 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.4 p -157.38 163.26 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.44 109.967 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.3 m -136.93 58.67 19.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.57999999999999996 110.347 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.805 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.578 1.83 . . . . 0.54000000000000004 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.656 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -176.12 46.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.47999999999999998 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.08 108.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 2.73 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.98 38.46 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.71999999999999997 111.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.48 94.5 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.56 0.8 . . . . 1.3 110.001 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.96 124.58 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.3799999999999999 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.15 -56.98 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 0.91000000000000003 111.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -164.63 172.86 12.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 1.74 109.25 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.74 135.22 71.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.3799999999999999 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.03 162.57 36.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 1.1299999999999999 110.931 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.49 5.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.82999999999999996 109.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 151.63 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.4399999999999999 109.331 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.97 133.07 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.47999999999999998 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE2' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -107.52 147.76 30.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 4.6699999999999999 110.34 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.931 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -147.31 143.88 28.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.48999999999999999 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.419 ' O ' HD23 ' A' ' 4' ' ' LEU . 53.3 m-70 -135.55 156.04 49.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.488 1.118 . . . . 0.63 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.776 ' CG ' HD23 ' A' ' 29' ' ' LEU . 38.3 m-85 -154.97 93.51 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.0499999999999998 110.986 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -7.66 42.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.8799999999999999 109.983 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -105.02 34.83 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 4.46 110.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 1.7 t-20 61.44 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 4.7599999999999998 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 25' ' ' PHE . 1.3 tm? -131.34 104.17 6.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 7.0800000000000001 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.73 156.86 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 3.96 109.326 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 31' ' ' THR . 6.4 t -106.26 61.92 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 4.4800000000000004 110.423 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -103.12 -44.69 5.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 4.71 110.339 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' ' OD1' ' A' ' 89' ' ' ASP . 45.8 m-85 -144.72 16.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 4.3700000000000001 111.002 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 1.3 t -89.52 162.68 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 1.48 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.67 -175.72 40.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.79000000000000004 111.039 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.89 159.8 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.72999999999999998 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -154.87 124.77 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 2.5600000000000001 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.076 HD13 HG22 ' A' ' 81' ' ' VAL . 12.3 tp -94.33 138.16 32.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.60999999999999999 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.687 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.1 m -138.07 137.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.70999999999999996 109.243 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.0 ttt -93.81 97.98 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.3399999999999999 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.88 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.94999999999999996 110.382 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 2.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 37.1 mtt -127.79 138.77 33.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 4.04 110.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.2 Cg_endo -75.01 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 3.5 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.32 -62.58 5.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 3.8300000000000001 111.02 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 mmt -133.96 91.91 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 5.0599999999999996 110.975 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.1 79.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 6.29 110.243 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 47.58 89.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 5.7000000000000002 109.549 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 78.78 23.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 2.2999999999999998 109.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.61 24.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 1.28 111.035 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mmt -113.79 121.74 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 2.3300000000000001 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.53 149.18 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.77000000000000002 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.92 146.23 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.83999999999999997 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.8 120.16 15.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 4.1600000000000001 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -144.04 175.24 10.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.63 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.87 141.16 49.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.92000000000000004 109.225 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 68' ' ' ILE . 2.7 m -119.1 123.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 2.0499999999999998 109.333 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.4 m -140.35 175.73 9.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.5800000000000001 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.77 153.1 16.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.80000000000000004 111.018 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -124.34 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.98 -0.848 . . . . 1.9299999999999999 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.85 30.63 8.18 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.983 -0.847 . . . . 3.1099999999999999 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.44 154.64 0.75 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 2.6299999999999999 109.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -6.5 18.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.455 1.766 . . . . 1.27 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -11.79 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 3.2000000000000002 109.234 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.41 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.3 m -114.78 120.09 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.68000000000000005 110.395 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.99 161.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.29 110.997 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.474 HG23 ' C ' ' A' ' 66' ' ' MET . 95.8 t -155.59 117.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.5700000000000001 109.331 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -95.86 132.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.65000000000000002 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.9 109.2 9.94 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.48999999999999999 110.427 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.5 Cg_endo -74.95 134.62 18.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.46000000000000002 111.074 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.41 -26.9 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.67000000000000004 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.42 146.44 32.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.77000000000000002 109.94 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.52 11.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.78000000000000003 110.956 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -77.07 116.13 17.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.66000000000000003 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.2 p -89.6 174.92 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.85999999999999999 110.442 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -45.73 167.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.72999999999999998 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 -154.48 16.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.57999999999999996 111.066 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 m -138.69 137.52 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.616 0.833 . . . . 0.81000000000000005 110.364 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.9 m-85 -136.82 163.76 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.95 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 113.54 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 2.1400000000000001 109.329 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.076 HG22 HD13 ' A' ' 38' ' ' LEU . 33.9 t -91.83 104.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 124.1 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 1.8799999999999999 109.186 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.611 ' HE1' HG23 ' A' ' 97' ' ' VAL . 23.4 p-90 -117.94 159.84 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.60999999999999999 108.029 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 34' ' ' SER . 45.0 mtt180 -146.16 120.15 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 2.8900000000000001 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.616 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.78000000000000003 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 86' ' ' VAL . 4.7 t -144.57 85.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 2.3399999999999999 109.37 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -41.13 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 3.7000000000000002 109.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 5.3 t -147.34 -60.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 4.0899999999999999 109.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.452 ' OD1' ' CD1' ' A' ' 33' ' ' PHE . 2.9 m-20 160.54 -32.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 8.3300000000000001 109.344 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.8 m -52.26 -55.99 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.0700000000000003 110.44 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.19 96.66 48.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 6.2000000000000002 109.601 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.22 37.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 2.5899999999999999 111.059 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.9 mm -134.35 128.96 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 2.7400000000000002 109.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.4 p -125.56 138.17 53.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.92000000000000004 110.336 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -164.62 163.15 36.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.64000000000000001 110.933 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -141.65 166.02 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.758 . . . . 1.3600000000000001 110.036 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.805 HG21 ' HG2' ' A' ' 9' ' ' PRO . 65.2 t -136.88 111.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.66000000000000003 109.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 t -93.37 139.75 30.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.59999999999999998 110.402 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -143.24 153.94 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 110.978 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -110.36 157.53 19.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 2.5699999999999998 109.253 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 76' ' ' ALA . 98.2 t -138.35 117.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.70999999999999996 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 3.2799999999999998 109.253 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.504 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.54 -0.541 . . . . 9.4199999999999999 109.54 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 1' ' ' HIS . 18.5 Cg_endo -74.99 58.18 4.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 5.3899999999999997 111.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -146.56 137.24 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 4.0300000000000002 109.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -53.91 174.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.95999999999999996 109.292 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.79 HG21 ' H ' ' A' ' 26' ' ' SER . 64.8 t -57.73 -81.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.67000000000000004 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.504 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -140.17 146.62 39.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.63 110.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.954 ' HB2' HD23 ' A' ' 23' ' ' LEU . 68.1 p -156.31 166.07 34.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.40000000000000002 109.944 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 93.5 m -136.98 58.82 19.54 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.55000000000000004 110.401 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.01 -65.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.457 1.767 . . . . 0.44 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.22 45.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.46999999999999997 109.248 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -47.82 107.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 2.25 110.305 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.25 51.27 2.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.98999999999999999 111.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.49 116.49 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 1.78 109.981 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -105.23 124.22 49.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.78 110.347 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.19 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 1.1299999999999999 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' C ' HG13 ' A' ' 101' ' ' VAL . . . -173.39 -165.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 2.04 109.231 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -52.79 107.94 0.97 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.464 1.103 . . . . 2.96 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 2.2000000000000002 111.046 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.09 -72.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.89000000000000001 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 159.35 39.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 1.09 . . . . 2.3500000000000001 109.304 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.47999999999999998 109.251 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -112.75 149.89 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.4399999999999999 110.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.7 mt -147.23 142.66 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 56.2 m-70 -137.53 159.78 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.70999999999999996 109.556 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 51.3 m-85 -155.95 141.0 17.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 2.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.79 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.5 m -82.44 -27.41 31.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.5700000000000001 110.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -159.24 131.38 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 4.5499999999999998 110.34 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LEU . 6.0 t30 -157.39 -74.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 3.77 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER 36.4 69.18 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 7.2199999999999998 109.248 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.777 HG12 HG11 ' A' ' 86' ' ' VAL . 3.5 t -162.33 144.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 4.8399999999999999 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 31' ' ' THR . 13.2 t -134.26 48.11 2.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.58 1.175 . . . . 3.77 110.402 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -99.23 -62.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 6.1799999999999997 110.279 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -134.31 64.64 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 4.4900000000000002 111.025 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.1 p -125.88 120.87 31.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 2.6899999999999999 109.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.74 -178.09 48.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.80000000000000004 110.95 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -151.88 168.8 23.97 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.545 0.791 . . . . 0.77000000000000002 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -155.06 127.77 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 2.3599999999999999 109.275 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.869 HD12 ' H ' ' A' ' 39' ' ' VAL . 6.3 tp -96.03 142.55 28.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.68999999999999995 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.869 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -139.03 132.95 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.69999999999999996 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.9 ttt -85.89 97.36 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 2.1899999999999999 111.055 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 41' ' ' THR . 12.2 t -108.68 59.59 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.80000000000000004 110.43 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -84.72 132.46 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.0699999999999998 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.9 ttm 49.4 99.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 5.4100000000000001 110.969 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 103.09 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 2.8700000000000001 111.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.7 -52.29 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.612 1.195 . . . . 2.9500000000000002 111.009 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 75.15 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 4.7999999999999998 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 40.35 59.76 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 6.0099999999999998 110.286 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' ' HG1' ' A' ' 41' ' ' THR . 1.2 t-160 47.37 90.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 6.5099999999999998 109.546 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -113.83 92.3 24.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 2.3100000000000001 109.973 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 135.7 19.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.445 1.761 . . . . 1.3700000000000001 111.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.5 mtm -110.75 109.74 20.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 3.6400000000000001 111.018 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.45 130.15 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.75 109.25 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -96.54 157.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.84999999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -82.35 98.05 8.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 4.8200000000000003 109.262 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.42 175.2 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.65000000000000002 109.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.2 140.69 24.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.64000000000000001 109.327 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.3 128.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 2.1200000000000001 109.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -132.62 126.96 33.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.21 109.984 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -65.44 163.47 39.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 1.21 111.035 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.3 49.68 0.84 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.039 -0.824 . . . . 2.6600000000000001 111.039 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.13 -65.04 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.961 -0.856 . . . . 2.29 110.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.06 160.66 28.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 3.2799999999999998 109.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' O ' ' HE1' ' A' ' 66' ' ' MET . 18.1 Cg_endo -75.1 -7.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.572 1.827 . . . . 1.3500000000000001 110.961 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -30.38 21.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 2.3300000000000001 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -100.8 129.91 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.66000000000000003 110.44 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.578 ' HE1' ' O ' ' A' ' 63' ' ' PRO . 1.2 mpp? -120.42 160.83 22.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.5 110.944 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 66' ' ' MET . 87.4 t -153.63 115.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.6599999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -87.5 123.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.53000000000000003 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.35 110.88 17.93 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.56000000000000005 110.371 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.07 135.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.57999999999999996 110.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -22.94 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.7 152.4 51.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 1.1499999999999999 110.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 134.46 17.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 1.1399999999999999 110.953 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.68 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 27.8 mt -70.98 116.98 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.84999999999999998 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -84.79 158.29 20.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.81000000000000005 110.404 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.71 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -43.72 143.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.90000000000000002 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.86 -155.13 24.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.455 1.097 . . . . 0.52000000000000002 111.025 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.697 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 47.5 m -132.45 136.84 46.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.62 110.449 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.862 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -136.73 162.52 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.97 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.46 117.48 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.1499999999999999 109.369 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG22 HD13 ' A' ' 38' ' ' LEU . 97.0 t -93.9 99.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.5 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.65 109.01 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.269 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.8 p-90 -107.26 161.15 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.51000000000000001 108.033 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 94' ' ' THR . 56.4 mtm180 -147.38 118.13 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 4.0199999999999996 110.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.88 156.74 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.94999999999999996 109.236 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.777 HG11 HG12 ' A' ' 30' ' ' VAL . 10.8 p -103.1 171.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 3.8500000000000001 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.539 ' H ' HG22 ' A' ' 86' ' ' VAL . 18.8 t -127.65 -59.64 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 3.6899999999999999 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -176.69 -60.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 3.4100000000000001 109.947 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -139.08 -54.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 4.8300000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -49.48 160.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 4.5800000000000001 110.387 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.4 OUTLIER -40.62 139.56 1.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 6.6200000000000001 109.671 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 91' ' ' HIS . 18.1 Cg_endo -74.99 161.36 38.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 2.5600000000000001 110.986 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm -88.54 136.55 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.295 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 84' ' ' ARG . 57.8 p -110.04 148.95 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.76000000000000001 110.459 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.39 158.96 29.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.44 110.982 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.82 154.29 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.70999999999999996 109.97 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.735 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.6 t -140.01 101.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.45000000000000001 109.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 6.2 t -85.98 134.55 33.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.52000000000000002 110.383 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.68 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 3.8 p90 -140.95 149.5 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.8400000000000001 111.005 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -103.95 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 2.2599999999999998 109.307 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.1 t -141.07 112.51 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.55000000000000004 109.289 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 2.52 109.307 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.497 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.608 -0.516 . . . . 8.8200000000000003 109.608 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.08 148.98 35.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 4.4500000000000002 110.993 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.51 164.88 20.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 4.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -55.01 169.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.87 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.734 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -59.43 -83.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.67000000000000004 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.411 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -142.73 146.91 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.52000000000000002 110.084 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.821 ' HB2' HD23 ' A' ' 23' ' ' LEU . 49.4 p -156.52 163.81 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.35999999999999999 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -136.73 59.36 23.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.63 110.385 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.412 1.743 . . . . 0.45000000000000001 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.29 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.118 . . . . 0.39000000000000001 109.351 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.12 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 2.9700000000000002 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.78 36.59 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.69999999999999996 111.032 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.82 93.83 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.24 110.037 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.54 125.09 50.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.97 110.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -49.7 0.59 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.567 1.167 . . . . 1.04 110.976 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 168.18 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 1.8200000000000001 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -86.04 136.87 35.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.48 109.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 -168.06 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 1.48 110.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.37 -52.08 5.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.77000000000000002 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 157.58 37.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 2.9500000000000002 109.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.94 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.42999999999999999 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.55 147.13 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 1.6599999999999999 110.366 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -146.97 144.41 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.46000000000000002 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.1 m-70 -140.23 143.87 36.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.56000000000000005 109.641 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -147.31 130.07 16.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 2.1099999999999999 111.025 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.734 ' H ' HG21 ' A' ' 5' ' ' VAL . 51.8 p -69.92 -7.6 41.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 3.2799999999999998 109.975 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 165.46 79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 6.5199999999999996 110.288 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.8 p-10 -93.15 -42.93 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 4.8499999999999996 109.289 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' N ' ' ND2' ' A' ' 28' ' ' ASN . 19.3 tp 38.68 83.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 6.5 109.356 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.865 HG13 ' HB3' ' A' ' 34' ' ' SER . 74.8 t -52.01 -100.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 5.46 109.254 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.612 ' N ' HG12 ' A' ' 30' ' ' VAL . 8.8 t 43.53 35.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 5.6100000000000003 110.379 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.671 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -158.32 48.25 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 5.3200000000000003 110.338 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 45.37 59.22 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 5.6900000000000004 111.052 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.865 ' HB3' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -115.31 167.93 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.51 109.983 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.67 -163.65 31.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.82999999999999996 111.054 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -141.44 169.7 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.81000000000000005 109.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.38 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 4.8899999999999997 109.273 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 39' ' ' VAL . 4.0 tp -93.01 134.2 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.60999999999999999 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.776 ' N ' HD12 ' A' ' 38' ' ' LEU . 27.8 m -131.31 135.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.67000000000000004 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.2 tmm? -87.08 94.01 9.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.8100000000000001 111.025 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -117.85 59.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0800000000000001 110.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -70.11 -59.92 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 2.0699999999999998 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.43 142.18 29.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 5.5 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.22 5.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.439 1.757 . . . . 3.6200000000000001 110.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.3 -68.13 0.69 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.441 1.088 . . . . 3.9300000000000002 110.993 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.59 89.7 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 0.72 . . . . 5.4400000000000004 111.001 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 38.39 73.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 6.8799999999999999 110.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 54.9 83.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 5.9199999999999999 109.581 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.72 92.85 45.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 2.2200000000000002 109.985 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 144.04 30.14 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.46 1.769 . . . . 1.49 111.002 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmt -117.46 126.21 52.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 3.29 111.029 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -71.18 143.37 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.73999999999999999 109.324 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.4 p -107.29 169.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.21 96.56 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 4.5800000000000001 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -136.13 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.67000000000000004 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.68000000000000005 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.672 HG12 HG13 ' A' ' 68' ' ' ILE . 3.7 m -108.34 124.65 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 1.8100000000000001 109.224 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 m -138.32 132.44 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.1699999999999999 110.003 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.92 156.67 49.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.81000000000000005 111.0 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 47.62 3.64 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.002 -0.839 . . . . 2.3100000000000001 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.39 -61.47 0.41 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.041 -0.824 . . . . 2.6699999999999999 111.041 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.89 154.6 37.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 3.0299999999999998 109.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.09 9.53 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 1.6100000000000001 110.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -25.75 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 2.6299999999999999 109.35 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -114.4 132.39 56.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.75 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.489 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.19 146.36 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.6100000000000001 111.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.27 113.13 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.6399999999999999 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.672 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -90.09 121.96 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.47999999999999998 109.266 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -126.6 107.83 23.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.56000000000000005 110.372 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 136.3 20.13 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.548 1.815 . . . . 0.56999999999999995 110.992 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.49 72.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.80000000000000004 109.352 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.89 149.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.84999999999999998 109.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.78000000000000003 110.938 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -75.76 117.27 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.79000000000000004 109.299 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.0 p -96.96 162.81 13.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.88 110.402 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.21 156.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.76000000000000001 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.08 -149.78 19.84 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.566 1.166 . . . . 0.57999999999999996 110.983 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.3 m -147.57 132.46 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 0.824 . . . . 0.83999999999999997 110.388 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.1 m-85 -137.61 175.3 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 2.02 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.43 115.59 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1600000000000001 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 38' ' ' LEU . 47.9 t -84.85 111.52 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.64000000000000001 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.58 113.58 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.8400000000000001 109.314 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.6 p-90 -110.24 157.48 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.54000000000000004 107.996 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.81 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.3 mpt_? -149.47 115.17 5.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 4.3700000000000001 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 157.3 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.79000000000000004 109.304 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 32' ' ' GLN . 7.1 p -134.94 108.62 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 2.7000000000000002 109.397 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -97.88 90.0 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 3.4399999999999999 110.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.1 m 57.65 161.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 3.5099999999999998 110.045 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.42 102.5 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 6.9100000000000001 109.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 91' ' ' HIS . 2.7 t -164.84 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 5.4400000000000004 110.367 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 90' ' ' THR . 1.8 p-80 -176.51 130.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 6.75 109.638 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.34 43.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.517 1.798 . . . . 1.79 111.013 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 93' ' ' ILE . 1.1 mp -130.8 117.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 2.8100000000000001 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.81 HG22 ' HG2' ' A' ' 84' ' ' ARG . 20.0 p -112.91 137.92 50.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.01 110.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -142.06 160.71 27.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.46999999999999997 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.88 155.16 49.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.70999999999999996 110.018 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.877 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -139.71 104.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.51000000000000001 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.0 t -85.01 140.71 30.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.54000000000000004 110.422 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 2.9 p90 -150.43 149.68 30.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.8899999999999999 111.04 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -108.53 160.88 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 2.4300000000000002 109.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 76' ' ' ALA . 75.0 t -140.19 120.25 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.60999999999999999 109.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.0299999999999998 109.345 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.52 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.578 -0.527 . . . . 8.7699999999999996 109.578 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.925 ' HA ' HG23 ' A' ' 93' ' ' ILE . 18.2 Cg_endo -75.08 75.44 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 6.4299999999999997 110.968 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.38 127.95 11.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 5.2300000000000004 109.215 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -87.89 169.64 11.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.85999999999999999 109.245 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.822 HG21 ' H ' ' A' ' 26' ' ' SER . 93.2 t -57.68 -85.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.65000000000000002 109.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.492 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -136.46 148.33 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.5 110.007 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 66.7 p -157.16 165.55 35.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.31 110.027 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.74 ' O ' HG22 ' A' ' 8' ' ' THR . 1.5 m -138.52 58.45 14.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.77000000000000002 110.377 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.728 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.39000000000000001 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -177.26 45.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.44 109.372 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.4 107.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 2.3799999999999999 110.273 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.06 37.35 2.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.71999999999999997 111.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.451 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.08 93.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 0.722 . . . . 1.24 109.958 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.38 120.09 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.25 110.312 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.94 -47.8 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 1.01 111.01 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.88 166.08 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 1.8 109.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.709 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -71.72 136.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.3799999999999999 109.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 148.14 34.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 1.27 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -57.03 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.92000000000000004 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 149.37 26.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.79 109.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -86.07 139.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.40000000000000002 109.344 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.76 151.0 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.8500000000000001 110.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.87 146.15 28.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.578 1.174 . . . . 0.42999999999999999 109.281 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -136.71 160.27 39.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.82999999999999996 109.618 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 50.0 m-85 -154.42 117.5 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 2.0800000000000001 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.822 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.8 t -70.04 -7.19 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 1.9199999999999999 109.965 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.56 96.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 4.3700000000000001 110.315 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.481 ' C ' HD23 ' A' ' 29' ' ' LEU . 9.9 t30 -128.24 -81.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 3.8999999999999999 109.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER 39.96 70.21 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 6.8399999999999999 109.339 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.8 t -155.79 147.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 4.6500000000000004 109.344 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -137.42 34.76 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 3.8999999999999999 110.388 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.77 -84.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 4.5599999999999996 110.251 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.12 66.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 4.4199999999999999 111.039 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -132.51 140.51 48.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 2.6000000000000001 110.048 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.35 -154.45 16.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 1.1599999999999999 111.011 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.24 157.75 37.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 0.93000000000000005 109.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.41 114.31 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 4.0800000000000001 109.36 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.009 HD13 HG22 ' A' ' 81' ' ' VAL . 28.9 tp -87.28 131.86 34.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.02 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.0 m -134.2 132.96 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.56999999999999995 109.33 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 10.6 ttt -91.36 96.59 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 2.0899999999999999 111.07 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 41' ' ' THR . 13.1 t -106.59 60.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.77000000000000002 110.469 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' MET . . . -46.65 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 2.02 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -36.05 151.31 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 5.5 111.027 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.76 25.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 3.9100000000000001 110.92 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.51 -45.51 0.04 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 3.5800000000000001 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.89 59.95 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 7.3300000000000001 111.002 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER 38.87 54.29 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 6.1100000000000003 110.302 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 52.6 p-80 46.14 88.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 6.9199999999999999 109.626 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.69 75.57 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 2.5600000000000001 109.992 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.45 38.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 1.6000000000000001 111.039 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.92 140.52 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 2.73 111.003 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.66 143.03 35.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.358 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.1 p -113.58 164.52 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 1.1000000000000001 109.296 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.56 129.7 34.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 3.4199999999999999 109.336 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.76 174.89 13.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.78000000000000003 109.376 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.84 146.2 49.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.95999999999999996 109.226 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.663 HG12 HG13 ' A' ' 68' ' ' ILE . 22.7 m -113.26 119.69 61.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 2.0499999999999998 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 m -114.83 175.35 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.3999999999999999 110.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.23 146.98 18.0 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.412 1.07 . . . . 1.25 111.025 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.4 61.08 4.47 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 2.4399999999999999 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.79 -55.18 3.0 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.006 -0.838 . . . . 3.3399999999999999 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -88.82 148.94 42.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 3.0899999999999999 109.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 2.2999999999999998 110.974 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -84.97 -36.98 20.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.1000000000000001 109.241 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -98.47 112.98 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.72999999999999998 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.04 150.21 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.28 111.038 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -142.98 114.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.97 109.344 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.663 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -89.29 129.63 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.56999999999999995 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -139.77 108.52 7.1 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.77000000000000002 110.37 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.96 134.72 18.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.53000000000000003 111.045 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.75 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.70999999999999996 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 148.47 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.77000000000000002 109.988 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.542 1.811 . . . . 0.69999999999999996 111.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 60.4 mt -80.21 116.86 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.58999999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -93.36 173.16 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.60999999999999999 110.399 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -49.97 167.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.543 1.152 . . . . 0.64000000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.24 -150.38 17.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.56999999999999995 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -139.84 132.51 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 0.68000000000000005 110.394 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.9 m-85 -134.0 171.54 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 2.0299999999999998 111.022 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -146.5 111.88 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 3.1499999999999999 109.351 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.009 HG22 HD13 ' A' ' 38' ' ' LEU . 44.2 t -85.08 116.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.52000000000000002 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -98.4 115.12 27.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 1.9099999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.549 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -110.08 157.85 18.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.959 -1.126 . . . . 0.5 107.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.62 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.2 OUTLIER -143.06 128.88 19.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.8999999999999999 110.244 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' C ' HG23 ' A' ' 86' ' ' VAL . . . -121.65 168.38 11.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.84999999999999998 109.278 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 92' ' ' PRO . 74.5 t -154.24 128.86 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 2.7200000000000002 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.59 168.1 15.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 3.6899999999999999 109.973 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -84.48 66.07 9.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 5.9199999999999999 109.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -174.31 -71.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 6.0499999999999998 109.285 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.3 t -173.91 -171.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 4.5300000000000002 110.376 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 66.29 106.73 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 4.6299999999999999 109.654 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.545 ' HA ' HG22 ' A' ' 86' ' ' VAL . 18.0 Cg_endo -75.11 157.14 42.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.454 1.765 . . . . 1.8999999999999999 110.898 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.925 HG23 ' HA ' ' A' ' 2' ' ' PRO . 2.6 mp -134.01 137.96 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 2.6699999999999999 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.62 HG22 ' HG2' ' A' ' 84' ' ' ARG . 54.7 p -123.1 172.12 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.02 110.452 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -174.55 159.26 28.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.17 . . . . 0.53000000000000003 110.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.77 155.01 44.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.76000000000000001 110.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.728 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.9 t -142.05 107.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.52000000000000002 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 t -90.04 137.75 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.46999999999999997 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -149.14 146.46 27.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.75 111.039 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -102.22 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 2.6200000000000001 109.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.709 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.0 t -138.7 119.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.47999999999999998 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 2.5299999999999998 109.349 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.453 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.602 -0.518 . . . . 9.0099999999999998 109.602 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.65 ' HG2' HG23 ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.03 -166.85 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.758 . . . . 5.9100000000000001 111.045 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 124.98 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 5.8200000000000003 109.308 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -69.91 109.89 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 2.25 109.336 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG21 ' H ' ' A' ' 26' ' ' SER . 82.7 t -48.83 -70.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -156.27 150.12 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.60999999999999999 110.008 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.929 ' HB2' HD23 ' A' ' 23' ' ' LEU . 80.7 p -157.52 167.22 30.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.52000000000000002 109.977 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 m -140.95 56.67 6.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.68999999999999995 110.408 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.833 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.02 -72.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.40000000000000002 111.045 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.48 43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.40999999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -37.56 101.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 2.4500000000000002 110.338 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.03 36.91 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.80000000000000004 110.993 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.87 100.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 1.26 110.043 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -105.57 120.36 41.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 1.8200000000000001 110.323 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.04 -44.37 0.58 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.578 1.174 . . . . 0.98999999999999999 110.994 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.98 167.29 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 0.817 . . . . 1.8 109.301 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 136.4 56.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.54 109.286 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -75.02 144.62 30.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 1.54 110.994 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -53.1 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.85999999999999999 109.347 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 151.49 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 3.3199999999999998 109.336 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.59 144.49 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.47999999999999998 109.312 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.4 mt-10 -120.13 150.49 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.5600000000000001 110.283 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.929 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -148.22 143.64 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.82999999999999996 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.5 m80 -135.99 155.1 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.81000000000000005 109.564 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 4' ' ' LEU . 12.8 m-85 -154.83 105.09 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 2.9399999999999999 111.025 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.674 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -68.75 -8.32 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.5700000000000001 110.008 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -87.92 -72.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 4.6699999999999999 110.322 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 173.17 124.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 5.7000000000000002 109.31 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.531 HD13 ' SD ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -110.21 52.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 8.8200000000000003 109.34 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -53.32 151.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.092 . . . . 3.9500000000000002 109.325 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 31' ' ' THR . 9.2 t -96.62 60.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 4.29 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.0 tp-100 -98.48 -57.38 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 5.1900000000000004 110.288 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.903 ' HB2' HG11 ' A' ' 86' ' ' VAL . 47.0 m-85 -138.7 27.2 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 3.6499999999999999 110.96 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 2.6 m -85.44 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.79 109.975 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.46 154.98 13.97 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 1.27 111.01 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.66 163.01 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 109.335 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -155.17 120.53 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 2.5600000000000001 109.309 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 39' ' ' VAL . 8.1 tp -90.6 135.19 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.68000000000000005 109.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.721 ' N ' HD12 ' A' ' 38' ' ' LEU . 18.1 m -129.51 131.69 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.75 109.292 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.548 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.16 96.08 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.74 111.036 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -107.08 59.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.1499999999999999 110.37 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -53.8 41.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 2.2999999999999998 109.29 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.34 157.71 52.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 3.9900000000000002 111.018 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -166.83 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 3.8900000000000001 111.023 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.12 -53.87 0.16 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.434 1.084 . . . . 3.3700000000000001 111.029 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.3 mmt -127.67 78.88 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 0.764 . . . . 5.5199999999999996 111.041 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.29 74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 7.5499999999999998 110.354 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 57.56 90.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 5.9199999999999999 109.619 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -125.19 76.14 67.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 2.1400000000000001 110.059 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.68 39.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.452 1.764 . . . . 1.3400000000000001 110.975 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 mmm -110.13 118.87 37.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 2.6600000000000001 111.021 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -69.75 149.57 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.61 174.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0900000000000001 109.322 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.13 116.84 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.9900000000000002 109.249 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.26 173.1 13.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.78000000000000003 109.319 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.4 148.11 39.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.94999999999999996 109.246 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.29 125.54 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 2.1000000000000001 109.263 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -136.61 131.15 33.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.031 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.31 161.32 52.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.89000000000000001 111.05 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.08 47.43 1.81 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.976 -0.849 . . . . 2.3599999999999999 110.976 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.45 -41.21 2.88 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 2.1800000000000002 110.98 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -98.87 144.85 28.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 2.9700000000000002 109.276 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 1.3200000000000001 110.974 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -101.17 -19.94 15.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 2.52 109.318 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -106.65 111.77 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.78000000000000003 110.439 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.531 ' SD ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -101.98 151.99 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.23 110.98 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 58.6 t -144.89 115.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 1.6399999999999999 109.304 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -88.41 124.5 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.60999999999999999 109.241 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.92 109.09 18.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.75 110.395 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.99 135.52 19.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.567 1.825 . . . . 0.68999999999999995 110.998 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -29.37 65.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.93000000000000005 109.274 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.51 151.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.90000000000000002 110.045 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 138.81 23.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 0.92000000000000004 110.999 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 61.2 mt -89.58 118.19 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.64000000000000001 109.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -93.62 170.51 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.67000000000000004 110.456 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.87 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.85999999999999999 109.28 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.03 -153.44 17.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.73999999999999999 111.018 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 31.6 m -131.17 137.57 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.75 110.393 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.605 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 m-85 -141.55 171.04 14.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 2.1600000000000001 110.966 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.48 113.91 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.2799999999999998 109.245 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.671 ' CG2' HD13 ' A' ' 38' ' ' LEU . 71.7 t -87.96 104.86 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.69999999999999996 109.288 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 109.37 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.3399999999999999 109.28 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 21.6 p-90 -103.83 155.67 18.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.77000000000000002 107.994 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -144.78 103.33 3.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 2.6299999999999999 110.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.533 ' O ' HD12 ' A' ' 93' ' ' ILE . . . -88.38 151.21 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.4199999999999999 109.329 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.903 HG11 ' HB2' ' A' ' 33' ' ' PHE . 76.7 t -146.16 114.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 2.73 109.273 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.56 -69.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 3.8700000000000001 110.028 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -174.23 -51.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 2.8900000000000001 110.04 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.85 161.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 6.54 109.369 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.7 m -62.67 164.3 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 4.4000000000000004 110.464 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 67.87 118.52 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 4.7400000000000002 109.598 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.48 12.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 1.96 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.65 HG23 ' HG2' ' A' ' 2' ' ' PRO . 2.5 mt -114.64 84.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 3.9500000000000002 109.359 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.3 p -84.67 143.32 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.98999999999999999 110.445 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -165.24 157.59 30.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.71999999999999997 110.933 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -148.62 145.66 27.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.95999999999999996 110.015 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.833 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.8 t -127.85 111.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.54000000000000004 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.6 t -86.62 141.42 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.62 110.43 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 79' ' ' TYR . 28.8 p90 -151.75 154.11 35.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.97 111.057 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -104.17 163.03 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 2.98 109.294 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 76' ' ' ALA . 57.4 t -139.05 120.71 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 0.73999999999999999 109.235 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 3.6000000000000001 109.323 179.951 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.546 -0.538 . . . . 10.83 109.546 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 5.7699999999999996 111.005 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -143.28 161.17 39.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 5.8799999999999999 109.292 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.01 174.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.88 109.296 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG21 ' H ' ' A' ' 26' ' ' SER . 54.0 t -53.88 -76.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.67000000000000004 109.301 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.594 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.8 m -152.07 151.44 31.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.54000000000000004 110.01 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.961 ' HB2' HD23 ' A' ' 23' ' ' LEU . 58.6 p -157.55 164.11 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.35999999999999999 110.003 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.745 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -137.3 59.86 23.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.81999999999999995 110.407 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.812 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 -75.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.473 1.775 . . . . 0.55000000000000004 110.936 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.41 46.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.40000000000000002 109.379 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.14 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.9399999999999999 110.338 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.78 37.96 7.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.78000000000000003 110.981 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 t -71.68 95.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.8400000000000001 110.01 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -107.62 128.36 54.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 1.9399999999999999 110.293 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.7 -45.81 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.1100000000000001 111.025 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.66 166.53 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.8300000000000001 109.253 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.43 136.09 56.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 1.4199999999999999 109.268 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.576 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.92 150.08 38.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.732 . . . . 1.25 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.46 -55.1 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.77000000000000002 109.34 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.67 148.67 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 4.2199999999999998 109.276 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -84.89 144.66 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.48999999999999999 109.313 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tt0 -117.13 149.0 41.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 1.78 110.29 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.53 144.06 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.42999999999999999 109.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.449 ' O ' HD23 ' A' ' 4' ' ' LEU . 65.6 m-70 -136.37 147.46 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.54000000000000004 109.596 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CB ' ' HB2' ' A' ' 28' ' ' ASN . 44.9 m-85 -155.31 116.23 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 2.8300000000000001 111.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.622 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.3 m -71.77 -5.6 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.55 109.966 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -164.03 65.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 5.1100000000000003 110.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -88.8 -65.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 4.7300000000000004 109.309 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 39.82 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 6.3700000000000001 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 31' ' ' THR . 70.7 t -58.26 -98.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 5.2599999999999998 109.247 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 30' ' ' VAL . 11.9 t 40.21 36.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 5.7400000000000002 110.438 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.613 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -146.21 -82.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 5.1399999999999997 110.319 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 30.3 m-85 -164.92 29.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 3.98 110.963 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.3 149.14 26.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.28 109.965 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.34 171.33 35.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.88 111.034 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -131.95 164.83 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.80000000000000004 109.306 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.66 128.71 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 3.0800000000000001 109.313 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 53' ' ' VAL . 9.9 tp -93.7 121.85 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.3400000000000001 109.279 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.44 134.26 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.04 109.257 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.1 ttt -90.32 96.45 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.6499999999999999 110.966 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 41' ' ' THR . 6.8 t -113.11 59.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 1.29 110.403 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -40.52 160.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.5099999999999998 109.295 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ALA . 7.9 mtm -35.9 140.52 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 5.7999999999999998 111.016 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.3 Cg_endo -74.97 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 3.6899999999999999 110.968 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.23 -56.36 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 4.2199999999999998 111.009 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.2 mmm -125.33 102.28 7.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 6.6900000000000004 111.016 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 66.34 86.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 9.8399999999999999 110.24 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.37 87.75 5.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 5.2800000000000002 109.656 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.33 116.84 11.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.9399999999999999 109.985 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 145.3 31.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 1.7 111.04 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.91 128.84 52.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 4.4299999999999997 110.971 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.65 140.15 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.1899999999999999 109.307 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 38' ' ' LEU . 4.1 p -97.83 174.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.3500000000000001 109.244 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.44 58.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 4.75 109.284 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -98.24 173.84 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.91 139.69 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.63 109.397 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 p -92.38 130.64 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.1099999999999999 109.295 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.07 136.0 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.27 110.043 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.87 170.89 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 1.49 110.941 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.72 55.79 0.49 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.964 -0.855 . . . . 2.8799999999999999 110.964 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.75 -62.35 0.81 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.96 -0.856 . . . . 2.2599999999999998 110.96 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.69 154.06 50.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 2.4100000000000001 109.332 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' O ' ' HE1' ' A' ' 66' ' ' MET . 18.4 Cg_endo -75.03 -10.66 21.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 1.3799999999999999 110.963 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -87.28 -31.82 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 2.1899999999999999 109.322 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -87.95 120.63 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.398 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.446 ' HE1' ' O ' ' A' ' 63' ' ' PRO . 1.3 mpp? -110.16 151.75 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.3799999999999999 111.028 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.0 t -151.04 121.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.9199999999999999 109.322 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -91.84 124.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 109.296 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -131.78 109.11 14.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.60999999999999999 110.397 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.02 134.96 18.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.51000000000000001 111.044 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.43 78.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.337 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 153.99 37.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.01 109.965 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 126.74 10.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.80000000000000004 110.983 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.782 HD21 HD21 ' A' ' 38' ' ' LEU . 29.7 mt -71.13 115.74 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.56999999999999995 109.266 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.9 p -90.33 169.2 11.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 110.417 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.82 167.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.68999999999999995 109.319 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.51 -151.61 16.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.62 110.977 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.513 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -138.25 130.62 28.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 1.22 110.39 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -135.18 169.65 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 2.02 110.945 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.66 115.34 8.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 3.1800000000000002 109.309 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.63 ' CG2' HD13 ' A' ' 38' ' ' LEU . 2.4 t -87.91 116.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.87 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.34 124.81 44.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 2.3100000000000001 109.287 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 47.8 p-90 -118.97 158.02 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.52000000000000002 108.014 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.846 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -144.51 122.0 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 3.25 110.323 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.796 ' HB3' ' CG2' ' A' ' 93' ' ' ILE . . . -106.99 144.5 33.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.91000000000000003 109.277 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 32' ' ' GLN . 94.6 t -138.81 113.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 2.3100000000000001 109.282 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -77.47 -64.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 3.5 110.026 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -176.23 -57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 3.0 109.94 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.3 167.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 6.1100000000000003 109.35 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 90' ' ' THR . 19.9 m -82.93 60.14 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 5.2300000000000004 110.358 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -156.88 88.35 2.69 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 5.4000000000000004 109.593 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 150.98 39.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.783 . . . . 1.5900000000000001 111.012 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.796 ' CG2' ' HB3' ' A' ' 85' ' ' ALA . 2.8 tp -114.07 103.71 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 3.6000000000000001 109.219 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.846 HG22 ' CG ' ' A' ' 84' ' ' ARG . 17.5 p -90.4 161.26 15.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.93999999999999995 110.399 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -166.83 159.94 33.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.42999999999999999 111.014 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.05 154.05 45.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.75 110.021 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.812 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.7 t -136.97 107.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.52000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.7 t -89.4 138.58 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.5 110.433 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.4 p90 -150.15 150.34 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 1.76 110.937 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -104.67 164.0 12.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 2.7799999999999998 109.281 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 76' ' ' ALA . 87.4 t -141.13 120.82 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.54000000000000004 109.361 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 2.4900000000000002 109.297 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.706 ' H2 ' HD13 ' A' ' 93' ' ' ILE . 1.3 t60 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.698 ' HD2' ' H3 ' ' A' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 -162.16 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.544 1.813 . . . . 4.3899999999999997 111.042 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -111.71 164.35 13.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 5.0199999999999996 109.353 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -54.6 172.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.01 109.339 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.437 HG21 ' H ' ' A' ' 26' ' ' SER . 74.6 t -56.54 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.91000000000000003 109.261 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.529 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -139.1 153.63 48.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.88 110.03 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 23' ' ' LEU . 13.9 p -157.98 168.96 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.41999999999999998 109.971 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 12.0 m -140.05 57.1 8.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.68000000000000005 110.409 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.749 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.41999999999999998 111.007 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.95 44.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.56999999999999995 109.394 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 101.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 2.27 110.283 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.88 40.37 3.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.80000000000000004 110.962 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.97 95.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 1.26 110.033 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.01 121.96 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.8799999999999999 110.267 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.31 -45.09 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.93999999999999995 110.965 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.91 166.93 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.8 109.293 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.34 138.19 71.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.3799999999999999 109.334 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.0 Cg_endo -75.07 140.05 24.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 1.3700000000000001 110.934 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.98 33.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.88 109.28 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 148.9 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 4.4199999999999999 109.291 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.626 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.86 142.91 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.46999999999999997 109.287 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -119.3 149.74 41.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 2.2599999999999998 110.252 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' HD13 ' A' ' 68' ' ' ILE . 4.7 mt -145.2 142.58 29.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.59999999999999998 109.298 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.747 ' O ' HD23 ' A' ' 4' ' ' LEU . 59.0 m-70 -136.1 148.31 48.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.77000000000000002 109.626 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 5.5 m-85 -155.16 131.9 10.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 3.0499999999999998 111.007 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.437 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -69.67 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.72 109.969 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -161.39 53.82 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 4.3799999999999999 110.288 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LEU . 11.1 t30 -46.6 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 4.96 109.285 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' ASN . 8.7 tp 38.26 87.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 6.1500000000000004 109.25 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 31' ' ' THR . 25.4 t -76.17 -89.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 5.2800000000000002 109.308 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 30' ' ' VAL . 3.5 m 39.76 41.34 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 4.5899999999999999 110.364 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -143.33 -85.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 5.7599999999999998 110.306 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' HB2' HG21 ' A' ' 86' ' ' VAL . 31.9 m-85 -161.14 28.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 4.0300000000000002 110.933 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.515 ' HB3' HG22 ' A' ' 30' ' ' VAL . 43.2 t -84.62 139.28 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.5700000000000001 109.993 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.83 -159.01 10.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 1.1799999999999999 111.049 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.14 152.73 29.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 1.3 109.222 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -154.73 122.19 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 2.6400000000000001 109.32 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.956 HD13 HG22 ' A' ' 81' ' ' VAL . 23.8 tp -91.51 139.83 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.90000000000000002 109.327 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.5 m -131.9 144.36 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.68999999999999995 109.295 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.542 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -104.59 95.68 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 2.3700000000000001 111.008 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 41' ' ' THR . 13.0 t -109.39 59.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.85999999999999999 110.458 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -81.89 133.34 35.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 2.98 109.348 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 48.36 93.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 4.9199999999999999 111.021 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 3.0600000000000001 110.977 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.44 -48.81 1.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 3.0800000000000001 110.918 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 mmt -95.82 78.23 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 0.735 . . . . 5.1200000000000001 110.975 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 7.8 tt0 42.96 51.68 5.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 6.9000000000000004 110.304 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 22.9 p80 49.4 89.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.388 1.055 . . . . 5.7599999999999998 109.59 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.96 101.37 47.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 2.2200000000000002 110.007 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.4 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.561 1.822 . . . . 1.3799999999999999 111.023 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -127.85 110.8 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 2.2799999999999998 111.025 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.86 140.2 52.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.79000000000000004 109.257 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 p -123.66 159.12 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 1.04 109.299 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -78.11 129.87 35.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.3599999999999999 109.286 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -155.11 175.26 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.341 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.28 145.75 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.92000000000000004 109.309 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.77 127.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 1.9199999999999999 109.318 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' VAL . 6.5 m -149.39 144.42 26.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.22 109.951 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.67 170.92 54.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 1.3999999999999999 110.973 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.09 -109.87 1.75 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.032 -0.827 . . . . 2.5 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.0 -23.1 18.52 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.027 -0.829 . . . . 3.1899999999999999 111.027 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.23 154.71 56.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.75 . . . . 4.1900000000000004 109.334 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -1.35 11.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 2.5 111.023 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.32 -23.67 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 3.1899999999999999 109.331 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -94.49 117.63 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 1.05 110.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -98.75 154.09 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.29 111.016 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 81.9 t -149.13 119.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.6799999999999999 109.29 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.595 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.6 mp -99.47 134.29 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 109.315 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.69 119.15 9.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.82999999999999996 110.38 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.558 ' HG3' HD11 ' A' ' 74' ' ' LEU . 18.5 Cg_endo -74.91 134.16 17.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.54000000000000004 111.036 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.76 -26.08 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.75 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 157.15 34.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.76000000000000001 110.064 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.19 12.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.80000000000000004 110.973 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.5 mt -77.27 116.15 17.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.75 109.226 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.9 p -95.38 170.68 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.68999999999999995 110.428 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.26 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.79000000000000004 109.348 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -149.61 17.87 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.555 1.159 . . . . 0.51000000000000001 111.018 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 31.2 m -140.13 136.5 33.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.70999999999999996 110.458 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 38' ' ' LEU . 7.8 m-85 -135.12 161.81 34.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.8600000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -130.48 111.62 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 4.21 109.292 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.956 HG22 HD13 ' A' ' 38' ' ' LEU . 60.5 t -86.18 99.24 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.72999999999999998 109.311 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.91 123.71 34.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.96 109.299 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.9 p-90 -123.11 151.02 42.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.88 108.012 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' SER . 1.2 mtt85 -129.64 132.5 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 3.0299999999999998 110.323 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.47 51.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 33' ' ' PHE . 54.7 t -118.3 154.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 2.6400000000000001 109.338 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.91 -158.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.3599999999999999 109.984 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 m -58.91 -84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 3.3300000000000001 110.014 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 90' ' ' THR . 0.1 OUTLIER -138.62 106.0 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 5.6299999999999999 109.327 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER 171.12 162.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 5.6500000000000004 110.363 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 1' ' ' HIS . 1.3 p80 -39.62 157.52 0.14 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 5.7800000000000002 109.551 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 150.74 38.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 2.5099999999999998 110.997 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.706 HD13 ' H2 ' ' A' ' 1' ' ' HIS . 13.2 mm -107.62 75.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 2.3999999999999999 109.368 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 84' ' ' ARG . 19.0 p -85.36 160.11 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.89000000000000001 110.422 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -173.66 151.77 14.0 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.544 1.152 . . . . 0.68999999999999995 111.024 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.84 155.19 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 1.1399999999999999 109.989 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 9' ' ' PRO . 69.6 t -132.56 103.04 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.541 1.151 . . . . 0.93999999999999995 109.3 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 5.7 t -86.6 141.68 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 110.367 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.7 p90 -154.11 148.58 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.8 110.974 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -103.67 159.06 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 3.1899999999999999 109.375 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.3 t -134.9 121.99 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.48999999999999999 109.3 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.4500000000000002 109.242 -179.982 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.439 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 40.1 m-70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.588 -0.523 . . . . 11.119999999999999 109.588 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -75.0 -78.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 5.9500000000000002 110.974 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -109.84 165.17 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 3.9700000000000002 109.324 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.33 172.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.96999999999999997 109.316 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG21 ' H ' ' A' ' 26' ' ' SER . 58.6 t -51.53 -76.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.83999999999999997 109.248 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.621 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -152.32 152.67 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.53000000000000003 109.965 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.958 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.0 p -156.82 167.03 31.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.35999999999999999 109.986 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.527 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -137.35 58.17 16.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.92000000000000004 110.413 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.814 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.93 -63.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.54000000000000004 110.973 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.73 44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 0.72999999999999998 109.299 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -47.12 107.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 2.7000000000000002 110.254 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.06 63.7 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.17 . . . . 1.52 110.965 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.45 129.2 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 2.5099999999999998 109.95 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -101.53 138.03 39.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 3.77 110.322 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -160.65 -116.13 0.4 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.425 1.078 . . . . 1.97 110.935 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 174.78 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 4.4900000000000002 109.259 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 63.19 86.94 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 3.25 109.312 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.874 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.01 175.52 11.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 2.2000000000000002 110.991 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.73 -75.54 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.92000000000000004 109.304 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 158.05 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 3.3399999999999999 109.28 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.539 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -88.77 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.60999999999999999 109.291 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -111.37 149.71 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 1.6899999999999999 110.296 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -148.57 144.7 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.46000000000000002 109.287 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' O ' HD23 ' A' ' 4' ' ' LEU . 73.0 m-70 -136.07 149.84 48.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.53000000000000003 109.642 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 25.3 m-85 -153.3 119.87 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 2.1099999999999999 111.015 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.727 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.6 m -70.2 -12.43 61.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 1.6299999999999999 109.997 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.9 50.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 4.2699999999999996 110.351 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LEU . 9.2 t30 -48.68 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 4.7400000000000002 109.301 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 39.31 78.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 6.4500000000000002 109.297 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.873 HG13 ' HB3' ' A' ' 34' ' ' SER . 12.6 t -55.75 -93.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 5.2599999999999998 109.265 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.74 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.4 m 43.02 46.44 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.0599999999999996 110.409 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER 176.67 61.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 5.6699999999999999 110.334 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' GLN . 43.2 m-85 35.76 65.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 5.5800000000000001 110.944 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.873 ' HB3' HG13 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -116.77 136.63 52.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.3899999999999999 109.952 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -154.02 17.67 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 1.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.19 168.61 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 132.36 10.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 5.2599999999999998 109.25 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.788 HD12 ' H ' ' A' ' 39' ' ' VAL . 8.5 tp -90.62 143.11 27.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.77000000000000002 109.355 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.7 m -141.64 137.38 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.81999999999999995 109.355 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.3 ttt -90.14 97.62 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 2.2799999999999998 111.023 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' THR . 6.7 t -117.49 59.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.29 110.463 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -65.42 -70.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.3799999999999999 109.269 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtp -125.28 155.25 71.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 4.0599999999999996 111.018 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 85.98 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 3.6699999999999999 111.015 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.25 -56.73 2.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 4.1600000000000001 111.043 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mmt -95.41 66.6 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 6.9699999999999998 111.048 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' C ' ' CG ' ' A' ' 48' ' ' HIS . 1.6 tt0 53.95 56.54 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 6.04 110.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 47' ' ' GLU . 11.9 p80 44.73 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 7.5 109.564 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -148.31 127.48 6.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 3.8100000000000001 109.974 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 139.5 24.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 1.9199999999999999 110.992 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.6 mtt -107.79 110.92 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 4.2199999999999998 111.001 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.51 139.9 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.85999999999999999 109.26 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 38' ' ' LEU . 1.3 p -103.57 155.83 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.89000000000000001 109.335 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -78.88 57.95 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 5.0199999999999996 109.297 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -94.18 174.67 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.1000000000000001 109.3 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.05 148.23 33.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 1.1000000000000001 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 68' ' ' ILE . 4.8 m -111.43 126.21 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 2.1299999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -139.07 132.51 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.3600000000000001 109.964 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.0 160.37 53.34 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 1.1200000000000001 110.973 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.82 -139.32 8.59 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.958 -0.857 . . . . 1.96 110.958 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.07 -56.46 16.62 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 2.3900000000000001 111.037 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.17 157.05 34.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 2.3199999999999998 109.332 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -5.84 17.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.494 1.786 . . . . 1.97 110.954 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -84.71 -25.8 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 2.6899999999999999 109.278 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.86 127.84 43.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 110.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.492 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.42 149.42 27.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.52 111.023 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 48.2 t -142.33 113.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 1.73 109.292 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.736 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.38 120.14 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.73999999999999999 109.316 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.0 104.23 18.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.68000000000000005 110.429 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.04 135.35 18.89 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.453 1.765 . . . . 0.73999999999999999 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.05 82.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0900000000000001 109.306 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.53 145.83 30.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.93000000000000005 109.988 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.04 12.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 1.21 110.959 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.874 HD12 ' HD2' ' A' ' 18' ' ' PRO . 29.9 mt -62.42 115.37 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.1100000000000001 109.332 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 p -86.39 162.54 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.81999999999999995 110.441 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.61 139.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.93000000000000005 109.307 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.29 -154.98 24.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.458 1.099 . . . . 0.56000000000000005 110.96 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.534 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.8 m -141.15 146.59 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 0.719 . . . . 1.0600000000000001 110.41 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 m-85 -142.75 171.45 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.8500000000000001 111.049 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -142.32 112.84 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 2.46 109.272 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.698 HG22 HD13 ' A' ' 38' ' ' LEU . 39.3 t -84.96 113.58 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.60999999999999999 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.54 125.47 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 2.3500000000000001 109.324 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 35.2 p-90 -121.09 149.2 43.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.964 -1.124 . . . . 0.69999999999999996 107.964 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -142.13 123.74 15.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.1400000000000001 110.272 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.5 119.02 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 1.1299999999999999 109.315 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 89' ' ' ASP . 52.1 t -100.1 100.0 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 3.52 109.288 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -72.91 103.85 3.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 3.6400000000000001 109.934 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t 40.33 52.53 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 3.02 109.985 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 0.8 OUTLIER 57.45 166.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 7.8200000000000003 109.329 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m 61.67 155.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 4.2300000000000004 110.398 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 m80 46.95 74.75 0.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 6.1900000000000004 109.631 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.41 6.06 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.55 1.816 . . . . 2.9900000000000002 110.951 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.8 mm -96.0 94.35 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 2.7799999999999998 109.268 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.9 p -103.32 160.6 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0600000000000001 110.421 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.08 162.19 35.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.453 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -139.02 156.43 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.72999999999999998 110.002 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.814 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.6 t -136.06 108.66 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.42999999999999999 109.255 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.76 133.85 35.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.54000000000000004 110.355 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -142.05 161.56 37.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 1.77 110.948 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 158.47 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.71 109.32 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 76' ' ' ALA . 3.0 t -139.78 119.45 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.77000000000000002 109.313 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 2.7799999999999998 109.292 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.643 -0.503 . . . . 10.77 109.643 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 137.01 21.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 5.21 110.996 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 158.88 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 6.0099999999999998 109.28 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -53.87 174.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.93000000000000005 109.265 -179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.845 HG21 ' H ' ' A' ' 26' ' ' SER . 90.9 t -63.86 -86.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.67000000000000004 109.26 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.5 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -132.36 147.56 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.64000000000000001 110.043 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 23' ' ' LEU . 65.6 p -157.39 166.99 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.47999999999999998 110.024 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.506 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 80.4 m -136.9 59.04 20.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.68999999999999995 110.413 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.861 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.97 -66.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.39000000000000001 110.964 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 166.89 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.57999999999999996 109.294 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.67 110.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 1.112 . . . . 2.23 110.335 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.76 35.85 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.73999999999999999 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.674 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 4.6 m -70.64 98.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 1.3 110.019 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -105.92 125.94 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.6899999999999999 110.283 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.73 -43.97 0.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.91000000000000003 110.997 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.92 165.56 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.8200000000000001 109.319 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -87.83 137.87 31.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 1.6399999999999999 109.301 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.99 172.51 16.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 1.49 111.01 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.35 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.05 109.293 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 154.36 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 2.96 109.334 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.56 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -86.0 144.73 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.42999999999999999 109.346 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -115.94 150.19 37.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 3.1600000000000001 110.267 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.01 143.78 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.40999999999999998 109.347 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.557 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.6 m-70 -136.87 160.79 37.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.53 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CG ' HD23 ' A' ' 29' ' ' LEU . 13.6 m-85 -155.0 131.21 10.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 2.4199999999999999 110.996 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.845 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.3 t -69.61 -11.87 61.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.1499999999999999 109.918 -179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.39 141.13 49.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.9399999999999999 110.254 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -40.19 142.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 5.9699999999999998 109.295 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.577 HD23 ' CG ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -110.23 99.51 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 7.3799999999999999 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.33 158.3 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 4.1299999999999999 109.272 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.57 61.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 4.5 110.375 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -95.86 -56.64 2.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 5.1900000000000004 110.29 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -139.0 22.15 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 1.081 . . . . 4.8799999999999999 110.989 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 4.8 t -90.21 168.5 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 1.55 109.942 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.37 -179.35 34.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.591 1.182 . . . . 0.88 110.985 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.37 150.83 27.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 0.771 . . . . 0.78000000000000003 109.343 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 126.42 7.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.124 . . . . 2.71 109.329 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.812 HD13 HG22 ' A' ' 81' ' ' VAL . 6.1 tp -94.48 133.57 37.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.699 ' N ' HD12 ' A' ' 38' ' ' LEU . 3.2 m -134.26 137.53 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.83999999999999997 109.289 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -93.85 98.19 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3700000000000001 111.006 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -107.78 59.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.73999999999999999 110.366 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -41.86 -63.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.1000000000000001 109.356 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.6 tpt -144.14 128.84 9.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 5.3799999999999999 111.041 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.84 7.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 3.1800000000000002 111.026 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.69 -54.46 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 3.7400000000000002 111.018 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -107.19 87.45 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 0.799 . . . . 5.6600000000000001 111.023 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 40.35 76.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 7.3899999999999997 110.317 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 p80 40.79 90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 7.1100000000000003 109.596 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -116.82 80.95 11.42 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 2.7799999999999998 109.976 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.11 42.13 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.54 110.993 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ALA . 1.7 mtt -116.06 89.39 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 3.46 110.997 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -40.26 144.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.88 109.256 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.41 146.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.97999999999999998 109.361 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.88 96.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 5.0700000000000003 109.236 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -140.28 175.24 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.70999999999999996 109.272 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.18 144.45 27.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.98999999999999999 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.33 128.3 60.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 2.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.0 m -137.73 147.58 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 1.4199999999999999 110.014 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -78.44 151.31 36.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 1.2 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.51 -132.37 2.03 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.939 -0.864 . . . . 2.1000000000000001 110.939 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.41 -52.59 42.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 1.9199999999999999 111.01 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.03 165.7 12.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 3.27 109.263 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.15 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.3200000000000001 110.98 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -86.89 -9.77 54.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.3199999999999998 109.251 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -110.61 117.0 32.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.71999999999999997 110.373 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.546 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.26 160.87 14.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 1.6599999999999999 110.972 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 58' ' ' SER . 7.1 p -153.86 122.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 2.7799999999999998 109.25 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.643 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -95.66 122.91 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.5 109.315 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.31 107.38 24.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.66000000000000003 110.416 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.03 135.33 18.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.52000000000000002 110.977 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.98 74.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.69999999999999996 109.309 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.63 152.59 37.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.83999999999999997 110.044 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.77000000000000002 110.979 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -75.7 116.97 16.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.427 1.079 . . . . 0.70999999999999996 109.315 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 p -90.45 175.1 7.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.77000000000000002 110.407 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -58.04 161.62 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.80000000000000004 109.339 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.67 -154.46 19.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.63 110.97 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.01 134.23 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.1000000000000001 110.425 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -138.19 170.41 16.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.0800000000000001 110.997 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CE ' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -146.95 114.97 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 2.1699999999999999 109.283 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.812 HG22 HD13 ' A' ' 38' ' ' LEU . 35.6 t -86.84 108.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.59999999999999998 109.261 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.68 116.61 29.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 2.1000000000000001 109.333 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.0 p-90 -114.21 160.34 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.028 -1.101 . . . . 0.5 108.028 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 34' ' ' SER . 3.7 mpt_? -145.09 122.85 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 3.3399999999999999 110.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.522 ' HB2' ' HZ ' ' A' ' 25' ' ' PHE . . . -104.53 172.24 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.95999999999999996 109.331 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.0 146.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 3.0600000000000001 109.293 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -141.48 75.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 3.5299999999999998 110.027 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m 55.89 166.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 3.2200000000000002 109.964 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 54.6 171.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 5.0700000000000003 109.289 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -90.95 78.91 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 7.2300000000000004 110.397 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -162.07 72.38 2.32 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 4.4000000000000004 109.584 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 157.63 43.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 2.3300000000000001 111.004 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 93' ' ' ILE . 5.4 mp -104.7 136.24 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 2.3399999999999999 109.293 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -103.2 147.23 27.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.96999999999999997 110.437 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.534 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.56 155.33 26.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.55000000000000004 110.946 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.436 ' CB ' ' CE ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -144.81 144.21 31.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 0.727 . . . . 0.77000000000000002 109.933 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.861 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -125.55 105.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.63 109.359 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -89.03 136.39 33.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.52000000000000002 110.435 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.9 p90 -149.45 154.69 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.75 110.954 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -103.51 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 2.3300000000000001 109.24 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 76' ' ' ALA . 44.6 t -141.96 114.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.62 109.302 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 2.8599999999999999 109.341 179.983 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 22.7 p-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.593 -0.521 . . . . 9.1799999999999997 109.593 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HG2' ' CG1' ' A' ' 93' ' ' ILE . 18.2 Cg_endo -75.0 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 5.6900000000000004 111.024 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.03 128.75 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 4.0999999999999996 109.286 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.6 145.54 18.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.1699999999999999 109.297 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.643 HG21 ' H ' ' A' ' 26' ' ' SER . 57.4 t -54.04 -81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.4399999999999999 109.327 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.648 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.22 151.19 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.89000000000000001 110.04 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.981 ' HB2' HD23 ' A' ' 23' ' ' LEU . 76.2 p -156.65 168.36 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.64000000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.552 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -138.04 56.82 11.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.93999999999999995 110.36 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.831 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.97 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.592 1.838 . . . . 0.60999999999999999 110.983 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -175.78 43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.71999999999999997 109.243 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -37.7 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 2.52 110.345 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . 38.95 34.64 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.84999999999999998 110.998 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -67.38 97.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.011 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 9.7 mt-10 -105.49 126.79 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 1.9399999999999999 110.383 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.93 -39.4 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.88 111.016 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 0.807 . . . . 1.9099999999999999 109.27 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -73.02 140.04 80.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.8600000000000001 109.37 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.05 141.11 26.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.586 1.835 . . . . 1.8100000000000001 110.968 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.2 -51.71 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.191 . . . . 0.89000000000000001 109.305 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -155.23 154.66 32.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 2.3999999999999999 109.324 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -85.04 147.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.76000000000000001 109.31 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -124.9 153.9 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.8500000000000001 110.315 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.5 mt -149.33 146.63 27.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.93000000000000005 109.24 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 51.0 m-70 -137.13 159.62 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.606 ' HE2' HD13 ' A' ' 93' ' ' ILE . 11.3 m-85 -155.2 110.96 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 3.1299999999999999 111.024 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.643 ' H ' HG21 ' A' ' 5' ' ' VAL . 72.7 m -69.72 -7.91 43.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 2.5899999999999999 109.978 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.83 -70.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 3.7200000000000002 110.275 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 169.51 153.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 4.4199999999999999 109.304 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 88' ' ' SER . 0.2 OUTLIER -142.24 103.57 4.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 7.4800000000000004 109.255 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 31' ' ' THR . 1.2 t -101.96 161.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 3.9500000000000002 109.31 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' THR . 8.9 t -103.88 57.01 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 4.5499999999999998 110.374 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -87.65 -42.25 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.064 . . . . 5.5099999999999998 110.32 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 28.1 m-85 -166.32 31.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 4.1900000000000004 111.0 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.5 p -103.07 169.89 8.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.95 110.056 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.1 171.99 28.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 1.3600000000000001 110.935 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.32 174.34 9.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 0.91000000000000003 109.325 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -154.69 125.4 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 3.0499999999999998 109.291 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.101 HD13 HG22 ' A' ' 81' ' ' VAL . 26.6 tp -93.47 141.44 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.1499999999999999 109.292 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.4 m -141.61 144.04 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.68999999999999995 109.243 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -104.32 97.97 7.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.8100000000000001 111.007 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -108.51 59.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.93999999999999995 110.466 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -79.0 132.58 36.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 2.9900000000000002 109.28 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.4 85.51 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 5.04 111.003 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.77 6.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 3.1400000000000001 110.985 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.62 -42.81 0.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 3.1899999999999999 110.949 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mmt -86.72 65.71 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 4.6900000000000004 110.959 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.37 49.64 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 7.1699999999999999 110.242 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.9 m80 65.4 90.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 6.6799999999999997 109.59 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 p -115.03 90.4 23.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 3.8999999999999999 109.967 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 1.28 111.016 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -109.06 96.27 6.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 3.3300000000000001 111.033 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.32 139.02 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 1.1599999999999999 109.266 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 ' H ' ' A' ' 54' ' ' LYS . 1.4 p -119.53 173.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 1.22 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' H ' HG22 ' A' ' 53' ' ' VAL . 3.1 tttp -98.29 126.54 43.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.8200000000000003 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.95 174.21 14.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.80000000000000004 109.225 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.47 150.69 46.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.78000000000000003 109.244 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.637 HG12 HG13 ' A' ' 68' ' ' ILE . 3.8 m -111.1 132.7 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 2.04 109.278 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -148.22 136.57 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0900000000000001 110.057 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.09 166.5 53.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.94999999999999996 111.002 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.05 -121.13 3.56 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.98 -0.848 . . . . 1.6599999999999999 110.98 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.04 30.67 6.87 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.958 -0.857 . . . . 3.71 110.958 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.89 153.2 0.64 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 3.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -13.57 21.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 1.3799999999999999 111.031 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -86.05 -19.77 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 3.5899999999999999 109.277 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -104.49 117.14 33.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.1100000000000001 110.349 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.524 ' CE ' HD12 ' A' ' 29' ' ' LEU . 3.3 tpp -101.81 155.93 17.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.1799999999999999 111.019 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 13.7 t -148.57 110.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.73 109.317 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.637 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -87.07 127.58 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.81000000000000005 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.81 109.45 15.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.79000000000000004 110.343 -179.886 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.02 136.3 20.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.76000000000000001 111.006 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.92000000000000004 109.321 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 152.11 40.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.05 109.958 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.47 26.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.93999999999999995 110.984 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD21 HD21 ' A' ' 38' ' ' LEU . 30.6 mt -91.23 116.74 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.70999999999999996 109.275 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -95.91 175.04 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.84999999999999998 110.379 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -48.32 174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.84999999999999998 109.319 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -145.12 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.56000000000000005 110.974 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.599 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.8 m -145.23 145.55 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.81999999999999995 110.421 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 78' ' ' THR . 3.0 m-85 -146.09 170.24 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.77 111.037 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -143.15 109.82 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.313 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.101 HG22 HD13 ' A' ' 38' ' ' LEU . 22.0 t -86.88 112.29 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.72999999999999998 109.3 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -95.29 121.34 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 1.9399999999999999 109.305 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.526 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.6 p-90 -110.23 150.74 28.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.84999999999999998 107.971 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -144.98 127.88 16.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 3.6800000000000002 110.315 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.578 ' HB3' HD12 ' A' ' 93' ' ' ILE . . . -115.54 78.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.3300000000000001 109.324 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.791 HG22 ' HB3' ' A' ' 92' ' ' PRO . 77.7 t -92.6 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 4.3200000000000003 109.237 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t 61.31 14.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 8.0199999999999996 109.993 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.586 ' HB2' HD22 ' A' ' 29' ' ' LEU . 42.4 p -69.32 -42.61 75.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 8.2799999999999994 109.996 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -176.97 68.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 10.4 109.241 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m 63.3 126.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 6.96 110.398 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 63.81 123.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 5.1799999999999997 109.58 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.791 ' HB3' HG22 ' A' ' 86' ' ' VAL . 17.9 Cg_endo -75.09 143.27 28.57 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.446 1.761 . . . . 2.1400000000000001 110.932 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.606 HD13 ' HE2' ' A' ' 25' ' ' PHE . 1.2 mp -110.88 102.32 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 3.5699999999999998 109.257 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.3 p -103.01 136.81 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.96999999999999997 110.423 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.74 170.06 42.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.70999999999999996 111.02 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -148.98 150.52 33.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 0.815 . . . . 1.1399999999999999 110.025 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.831 HG21 ' CG ' ' A' ' 9' ' ' PRO . 4.5 t -124.33 115.01 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.64000000000000001 109.286 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 t -87.97 142.33 27.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.379 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 79' ' ' TYR . 37.2 p90 -151.27 149.5 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.8100000000000001 111.0 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 4.9 mtpm? -104.24 159.93 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 3.5800000000000001 109.311 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 17' ' ' ALA . 34.9 t -134.28 124.48 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.69999999999999996 109.31 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 3.02 109.294 -179.982 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.438 ' ND1' ' CD ' ' A' ' 2' ' ' PRO . 1.6 m-70 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.609 -0.515 . . . . 9.2100000000000009 109.609 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.438 ' CD ' ' ND1' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 6.3499999999999996 111.041 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -150.55 165.25 33.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 6.0499999999999998 109.278 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -54.47 112.68 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.3400000000000001 109.349 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.67 ' N ' HD22 ' A' ' 4' ' ' LEU . 14.4 t -50.27 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.78000000000000003 109.297 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -146.98 147.97 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.59999999999999998 110.042 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.927 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.8 p -156.44 166.02 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.34000000000000002 109.999 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.54 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 97.0 m -137.1 57.56 15.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.58999999999999997 110.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.808 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.02 -63.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.767 . . . . 0.62 110.979 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.96 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.75 109.269 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.731 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -46.4 109.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 2.2999999999999998 110.296 179.89 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 34.15 65.15 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.453 1.096 . . . . 1.54 110.977 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.81 132.38 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 2.8300000000000001 109.986 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -99.42 140.84 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 3.3399999999999999 110.3 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.29 -123.92 0.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 2.21 111.013 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 176.63 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 4.75 109.316 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.681 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 62.24 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 3.6099999999999999 109.246 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.572 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.97 -172.97 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 2.5299999999999998 110.956 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -70.07 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.82999999999999996 109.333 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.21 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 3.21 109.331 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -103.27 142.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.78000000000000003 109.278 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -108.11 145.75 33.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 1.8600000000000001 110.306 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -148.06 144.76 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.77000000000000002 109.376 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' LYS . 58.3 m-70 -141.79 136.43 30.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.02 109.605 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.721 ' CE1' HD23 ' A' ' 4' ' ' LEU . 92.2 m-85 -143.09 77.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.48 110.998 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -81.23 5.84 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 3.4500000000000002 110.004 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 6.2 tp10 -86.98 -58.0 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 5.5599999999999996 110.341 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.524 ' ND2' ' HB3' ' A' ' 25' ' ' PHE . 11.7 p30 -91.41 -42.39 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 4.9699999999999998 109.305 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER 36.78 79.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 7.3899999999999997 109.293 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 31' ' ' THR . 1.4 t -158.75 -42.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 4.5300000000000002 109.268 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' VAL . 6.5 t 48.42 51.68 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 5.79 110.381 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 32' ' ' GLN . 1.3 mm-40 -82.2 -63.81 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 5.6500000000000004 110.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -114.47 19.65 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 4.4100000000000001 111.03 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 p -84.68 171.41 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 1.6899999999999999 109.992 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.98 -166.92 39.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 1.01 110.993 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.506 ' HB3' HG21 ' A' ' 57' ' ' VAL . . . -155.23 165.47 36.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.69999999999999996 109.261 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -151.7 116.83 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 2.2799999999999998 109.349 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.028 HD13 HG22 ' A' ' 81' ' ' VAL . 17.7 tp -86.96 135.54 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.60999999999999999 109.302 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.508 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.7 m -133.06 134.88 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.63 109.278 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.9 97.02 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.95 110.965 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -111.83 59.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.91000000000000003 110.368 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.01 -71.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 2.0299999999999998 109.358 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.11 126.51 26.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 5.0499999999999998 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 94.8 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 2.9100000000000001 111.015 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.11 -59.06 2.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 3.0899999999999999 111.007 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 mmt -102.62 81.99 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 5.3799999999999999 111.0 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 41.78 72.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 6.5499999999999998 110.316 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 41.31 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 6.0099999999999998 109.633 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -117.11 91.61 37.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.4700000000000002 110.047 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.92 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.558 1.82 . . . . 1.52 111.048 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 mmt -95.43 96.49 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 2.8999999999999999 111.02 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.74 147.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.81000000000000005 109.335 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.7 p -113.63 156.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.81000000000000005 109.29 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.57 61.0 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.34 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -90.4 174.34 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.92000000000000004 109.304 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.83 142.7 30.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.91000000000000003 109.265 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 HG13 ' A' ' 68' ' ' ILE . 41.2 t -108.37 121.38 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 3.02 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -114.33 174.26 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.071 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.88 149.77 20.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 1.1799999999999999 111.004 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.56 -138.87 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.855 . . . . 2.7599999999999998 110.964 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.0 31.65 7.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 2.5699999999999998 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.59 151.74 9.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 3.0299999999999998 109.307 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HB2' ' N ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.97 -0.03 9.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 2.1200000000000001 111.023 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 8.7 ptpt -105.47 -1.15 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 2.48 109.307 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -115.61 121.47 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.27 110.422 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -131.47 147.21 52.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 1.3999999999999999 110.958 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.52 126.52 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.8899999999999999 109.278 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -94.55 121.33 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.76000000000000001 109.255 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.84 103.37 15.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.57999999999999996 110.364 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.12 134.77 18.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.601 1.843 . . . . 0.64000000000000001 110.904 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.89 81.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.79000000000000004 109.321 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.17 145.93 30.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.03 109.944 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.72999999999999998 110.964 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.572 HD12 ' HD2' ' A' ' 18' ' ' PRO . 30.7 mt -62.95 115.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.83999999999999997 109.358 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -88.05 165.72 14.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.81999999999999995 110.384 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.84 151.49 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.81999999999999995 109.307 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.6 -152.49 17.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.60999999999999999 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.555 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 48.9 m -130.94 148.39 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.1000000000000001 110.44 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 11.4 m-85 -143.15 162.58 35.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.608 1.192 . . . . 1.75 110.956 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -130.88 120.79 24.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 4.4000000000000004 109.321 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.028 HG22 HD13 ' A' ' 38' ' ' LEU . 77.7 t -96.64 103.56 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.58999999999999997 109.311 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.67 104.72 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.75 109.243 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 4' ' ' LEU . 23.6 p-90 -102.08 160.4 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.64000000000000001 108.023 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.845 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER -146.98 136.55 22.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 4.7400000000000002 110.296 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.857 ' HB3' ' CG1' ' A' ' 93' ' ' ILE . . . -105.47 153.24 21.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 1.0600000000000001 109.294 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG11 ' H ' ' A' ' 32' ' ' GLN . 11.6 p -88.09 146.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 4.3499999999999996 109.293 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.98 122.47 10.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 3.9199999999999999 109.994 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -54.39 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 3.3900000000000001 109.999 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.93 137.38 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 6.2599999999999998 109.325 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.9 m -41.42 139.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 6.1399999999999997 110.404 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 68.0 111.19 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 8.6600000000000001 109.602 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 3.1899999999999999 110.968 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.857 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 20.7 pt -110.73 148.2 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 3.21 109.332 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.845 HG22 ' HG2' ' A' ' 84' ' ' ARG . 76.9 p -119.02 165.02 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.93999999999999995 110.412 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.54 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.9 165.18 35.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.55000000000000004 110.965 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.21 142.35 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.90000000000000002 109.991 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.808 HG11 ' HG2' ' A' ' 9' ' ' PRO . 97.5 t -134.33 103.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.309 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.44 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 7.5 t -84.69 140.18 31.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.45000000000000001 110.401 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.4 p90 -149.76 160.44 43.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 110.928 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.12 165.48 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 2.27 109.358 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 17' ' ' ALA . 4.4 t -148.68 118.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.75 109.284 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.4 mttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 4.6100000000000003 109.294 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.541 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.583 -0.525 . . . . 10.970000000000001 109.583 . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.4 Cg_endo -74.92 144.96 31.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 7.0999999999999996 111.036 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.93 124.74 9.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 7.04 109.284 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -87.41 173.48 9.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.26 109.345 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.519 ' N ' HD22 ' A' ' 4' ' ' LEU . 60.5 t -50.77 -79.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.97999999999999998 109.283 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.604 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -152.21 145.72 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.91000000000000003 109.956 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.925 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.2 p -156.38 165.88 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.42999999999999999 110.019 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 55.0 m -141.09 58.99 9.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.57999999999999996 110.394 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.03 -71.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.516 1.798 . . . . 0.46000000000000002 111.011 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.08 43.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.45000000000000001 109.362 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.27 107.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.77 110.318 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.52 37.95 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.70999999999999996 111.033 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.501 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -70.17 95.27 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 0.757 . . . . 1.25 110.013 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 13.2 mt-10 -104.82 127.74 52.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 2.0099999999999998 110.367 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.99 -48.33 0.72 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.088 . . . . 0.97999999999999998 111.058 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.44 168.64 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 1.8200000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -80.21 137.41 52.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.46 109.329 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.524 1.802 . . . . 1.1200000000000001 111.013 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.05 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.76000000000000001 109.249 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 152.71 30.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.497 1.123 . . . . 3.2599999999999998 109.324 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -87.73 139.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.42999999999999999 109.293 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 tt0 -116.7 149.56 39.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.72 110.354 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.925 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.5 mt -148.03 147.72 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.56000000000000005 109.26 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' O ' HD23 ' A' ' 4' ' ' LEU . 64.4 m80 -145.14 147.24 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.05 109.521 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.803 ' CG ' HD23 ' A' ' 29' ' ' LEU . 11.2 m-85 -151.91 99.97 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 2.73 111.05 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.49 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -69.85 -7.3 38.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.8999999999999999 109.982 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ASN . 2.3 tt0 -95.75 33.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 5.1100000000000003 110.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.3 t-20 61.55 138.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 4.9000000000000004 109.238 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD23 ' CG ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -124.05 92.33 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 7.3600000000000003 109.306 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 31' ' ' THR . 2.1 t -84.63 158.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 4.0599999999999996 109.293 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' THR . 8.8 t -103.19 58.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 4.3600000000000003 110.383 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -106.1 -43.11 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 4.9800000000000004 110.286 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -147.15 17.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 4.6100000000000003 110.944 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -97.48 159.38 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 1.76 109.979 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.98 -168.47 39.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 1.05 110.999 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.56 153.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.87 109.268 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -155.0 122.95 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 3.3399999999999999 109.396 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 81' ' ' VAL . 14.7 tp -94.86 131.08 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.66000000000000003 109.243 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 52' ' ' ALA . 31.3 m -132.49 133.31 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.83999999999999997 109.309 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.57 95.93 10.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 2.1099999999999999 110.977 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 41' ' ' THR . 4.7 t -108.69 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.94999999999999996 110.444 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' MET . . . -52.53 178.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 2.3199999999999998 109.269 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -37.38 152.81 0.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 6.29 111.004 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 137.09 20.98 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 3.4300000000000002 110.963 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.94 -49.95 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.547 1.154 . . . . 3.25 110.978 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 mmm -105.68 71.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 5.3200000000000003 111.032 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER 40.88 53.0 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 5.7999999999999998 110.271 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 11.1 p80 47.32 86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 6.9100000000000001 109.556 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.48 85.93 32.98 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.503 1.127 . . . . 2.4300000000000002 110.003 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 165.98 30.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.4399999999999999 111.003 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtt -145.36 151.29 38.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 2.27 110.976 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -88.59 145.59 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.83999999999999997 109.288 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.52 130.3 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.1699999999999999 109.268 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -58.13 103.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.71 109.337 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.05 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.65000000000000002 109.365 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.14 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.84999999999999998 109.302 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HG13 ' A' ' 68' ' ' ILE . 9.3 m -114.66 123.94 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.3100000000000001 109.332 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -132.78 176.31 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.1799999999999999 110.007 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.43 153.91 16.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.85999999999999999 110.976 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.38 76.37 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.085 -0.806 . . . . 2.4500000000000002 111.085 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.43 39.12 4.2 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.031 -0.828 . . . . 2.2999999999999998 111.031 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.18 142.33 0.6 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.434 0.726 . . . . 2.3100000000000001 109.295 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -16.45 20.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.36 1.716 . . . . 1.23 110.98 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -15.09 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 2.2400000000000002 109.295 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -110.52 122.41 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.78000000000000003 110.426 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -114.47 158.82 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.4199999999999999 110.934 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 1.8 p -156.27 126.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 2.4300000000000002 109.284 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -99.8 130.82 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.59999999999999998 109.301 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.61 115.95 14.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.54000000000000004 110.39 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.547 1.814 . . . . 0.60999999999999999 111.02 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.11 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 109.284 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 158.98 31.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.82999999999999996 110.039 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.78000000000000003 111.026 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 73.6 mt -72.75 118.79 16.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.65000000000000002 109.308 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.8 p -92.36 175.45 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.84999999999999998 110.414 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.689 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.77 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.1000000000000001 109.232 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.03 -146.38 18.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.60999999999999999 110.995 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.504 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 62.6 m -144.72 145.18 31.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.93000000000000005 110.388 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.6 m-85 -140.7 164.73 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.9099999999999999 111.012 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 110.35 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 2.8300000000000001 109.227 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 38' ' ' LEU . 42.4 t -85.71 103.05 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.32 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 111.84 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 2.1499999999999999 109.25 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.559 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.7 p-90 -110.13 159.18 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.58999999999999997 108.026 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' HG22 ' A' ' 94' ' ' THR . 7.2 mtt-85 -138.89 117.2 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.0800000000000001 110.292 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . . . -103.63 143.6 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.4399999999999999 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 92' ' ' PRO . 48.4 t -137.37 157.78 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 2.9199999999999999 109.291 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ASP . 9.6 t -141.77 52.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 4.0199999999999996 109.997 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER 69.77 -60.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 3.5699999999999998 110.031 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -39.71 143.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 6.4400000000000004 109.286 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 90' ' ' THR . 10.9 t -75.65 57.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 4.8300000000000001 110.481 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -156.03 83.86 3.4 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 4.6200000000000001 109.601 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.6 Cg_endo -74.95 130.72 13.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.418 1.746 . . . . 2.0299999999999998 111.02 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.6 111.47 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 3.21 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.552 HG22 ' HD3' ' A' ' 84' ' ' ARG . 20.1 p -86.74 141.03 29.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.05 110.404 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.559 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -140.12 164.68 26.14 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.457 1.098 . . . . 0.59999999999999998 111.055 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.39 142.17 25.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.376 0.692 . . . . 0.87 109.974 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' A' ' 9' ' ' PRO . 55.0 t -129.29 101.04 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.63 109.323 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -85.09 145.71 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.68000000000000005 110.349 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.5 p90 -153.27 153.8 33.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 111.024 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.3 mtpt -106.16 157.03 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 2.3500000000000001 109.296 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 76' ' ' ALA . 94.8 t -137.65 118.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.57999999999999996 109.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 2.73 109.337 179.922 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.461 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.7 m170 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.577 -0.527 . . . . 9.8399999999999999 109.577 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -51.15 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 5.2199999999999998 110.968 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -144.58 141.71 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 5.7199999999999998 109.327 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -54.62 174.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 1.05 109.339 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 ' H ' ' A' ' 26' ' ' SER . 98.8 t -60.85 -81.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 1.03 109.274 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.542 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -136.28 147.65 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.57999999999999996 109.987 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.836 ' HB2' HD23 ' A' ' 23' ' ' LEU . 78.3 p -156.48 168.23 28.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.40999999999999998 110.037 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 31.4 m -139.84 57.05 8.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.73999999999999999 110.424 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.872 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.91 -56.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.90000000000000002 111.018 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 165.21 43.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.54000000000000004 109.279 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.29 103.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.6600000000000001 110.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.9 34.74 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.89000000000000001 110.945 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.495 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.32 97.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 1.4299999999999999 109.992 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -109.88 120.7 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.9199999999999999 110.344 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.37 -39.98 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.1899999999999999 110.998 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.45 148.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 2.04 109.3 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.657 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -72.57 136.41 80.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.9199999999999999 109.298 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.73 40.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 1.5900000000000001 110.931 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.47 109.318 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.91 161.69 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.3900000000000001 109.285 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -85.37 139.2 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 109.307 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 7' ' ' SER . 2.0 tt0 -115.99 151.6 35.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.71 110.285 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.4 mt -147.75 143.87 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.02 109.305 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.583 ' O ' HD23 ' A' ' 4' ' ' LEU . 36.6 m-70 -137.85 158.3 44.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.78000000000000003 109.66 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.6 m-85 -155.01 116.98 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.3900000000000001 110.986 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.722 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -69.71 -6.63 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 1.99 109.961 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -139.99 72.95 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 5.21 110.3 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 9.3 t-20 -149.92 159.18 44.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 4.7800000000000002 109.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -174.89 55.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 8.0199999999999996 109.33 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.684 ' O ' HG22 ' A' ' 31' ' ' THR . 98.2 t -143.1 -71.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 5.3099999999999996 109.332 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER 82.66 15.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 7.6399999999999997 110.331 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.631 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -148.67 -158.88 0.96 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.477 1.111 . . . . 10.82 110.363 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 53.21 19.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 7.7999999999999998 111.057 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.433 ' CB ' ' HA ' ' A' ' 85' ' ' ALA . 17.1 p -152.91 175.3 13.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.71 110.005 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.98 162.61 32.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 1.71 110.968 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.76 175.14 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 1.02 109.269 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -155.18 128.4 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.27 109.295 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -100.63 132.28 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.88 109.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -125.55 127.3 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 1.05 109.286 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 20.7 ttt -86.84 96.86 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 111.021 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.95 59.84 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.3300000000000001 110.444 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.07 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 2.4399999999999999 109.279 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.63 155.64 29.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 3.8799999999999999 110.997 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.556 1.819 . . . . 3.2200000000000002 110.998 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.43 -55.89 0.89 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 3.25 110.973 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 mmt -126.22 74.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 5.0099999999999998 110.95 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.15 50.9 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 6.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 t60 55.81 80.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 5.8300000000000001 109.592 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -119.33 79.14 19.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 2.1800000000000002 109.936 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.528 1.804 . . . . 2.0600000000000001 111.032 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mmt -124.12 134.35 53.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.6000000000000001 111.011 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.8 141.38 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.2 109.356 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.513 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.69 153.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 1.22 109.277 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 111.12 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 3.1000000000000001 109.32 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -133.13 175.04 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.1499999999999999 109.302 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.93 141.93 40.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.46 129.29 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 2.2599999999999998 109.294 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -143.77 134.43 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.45 110.009 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -74.88 157.32 50.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 1.3999999999999999 110.987 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.05 -157.97 32.65 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.066 -0.814 . . . . 2.2400000000000002 111.066 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.89 -31.62 32.21 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.037 -0.825 . . . . 2.1499999999999999 111.037 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.17 149.25 40.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 3.0800000000000001 109.351 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -12.87 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 1.49 110.945 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -85.16 -19.11 32.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 2.0299999999999998 109.359 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.494 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -104.26 133.16 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.47 110.454 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.419 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -109.96 160.08 16.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 2.02 110.972 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 46.8 t -149.69 116.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.8100000000000001 109.3 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 121.44 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.1000000000000001 109.288 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.04 109.84 31.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.28 110.366 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.71 19.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.547 1.814 . . . . 1.05 110.978 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.3 61.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.29 109.344 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 149.93 37.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.4399999999999999 110.007 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.4 17.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.813 . . . . 1.3700000000000001 110.977 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.6 mt -84.11 117.31 23.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.75 109.281 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.3 p -97.26 175.42 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.083 . . . . 0.75 110.368 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -54.86 171.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.83999999999999997 109.322 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.66 -159.15 13.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.70999999999999996 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 29.0 m -118.18 146.59 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.89000000000000001 110.362 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 40' ' ' MET . 36.7 m-85 -145.92 157.21 43.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.8200000000000001 111.046 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.22 113.14 12.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 5.04 109.319 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 21' ' ' ILE . 57.9 t -92.13 109.78 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.66000000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.62 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8500000000000001 109.248 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 37.7 p-90 -104.51 150.61 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.82999999999999996 108.082 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.7 129.7 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 3.4100000000000001 110.261 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 34' ' ' SER . . . -112.15 104.67 12.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 2.3300000000000001 109.303 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 86' ' ' VAL . 30.0 t -114.11 61.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 5.5800000000000001 109.281 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 90' ' ' THR . 23.3 t -109.31 175.09 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 6.4299999999999997 110.005 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 m -79.31 161.69 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 4.8300000000000001 109.998 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 90' ' ' THR . 13.7 m-20 44.97 57.97 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 7.6200000000000001 109.243 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 87' ' ' SER . 8.4 t -176.02 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 8.9600000000000009 110.441 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 0.1 OUTLIER 78.72 172.49 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 6.1299999999999999 109.563 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -74.99 107.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.427 1.751 . . . . 2.1400000000000001 111.024 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 1' ' ' HIS . 51.5 mm -107.99 138.4 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 3.1099999999999999 109.318 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 p -113.69 149.74 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.3600000000000001 110.4 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -154.0 153.19 24.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.80000000000000004 110.989 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 142.35 30.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 0.8 . . . . 1.4199999999999999 110.001 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -137.12 105.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.64000000000000001 109.343 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -84.67 144.25 28.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.81000000000000005 110.422 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 23.6 p90 -159.8 149.85 18.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.8 110.967 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -102.66 167.55 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 2.4199999999999999 109.342 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' H ' ' A' ' 17' ' ' ALA . 26.0 t -139.18 123.16 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.93000000000000005 109.321 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.7200000000000002 109.275 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.55 -0.537 . . . . 11.82 109.55 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.92 4.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 6.8099999999999996 111.017 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.64 141.49 23.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 5.1699999999999999 109.296 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.671 HD11 ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -54.94 106.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 1.54 109.259 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.778 HG21 ' H ' ' A' ' 26' ' ' SER . 91.9 t -51.94 -68.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.72999999999999998 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.13 148.41 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.56000000000000005 109.982 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.936 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.2 p -156.87 167.46 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.41999999999999998 109.997 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 8' ' ' THR . 7.6 m -138.04 57.1 12.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.97999999999999998 110.398 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.825 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.05 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.5 110.994 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 178.75 44.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.52000000000000002 109.253 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.15 104.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 2.77 110.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.63 37.07 0.5 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.514 1.134 . . . . 0.72999999999999998 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.6 95.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 0.733 . . . . 1.25 110.014 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -105.46 121.6 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 1.8899999999999999 110.299 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.99 -40.5 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.1 . . . . 0.89000000000000001 111.021 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.77 162.05 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.8500000000000001 109.282 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -84.4 139.88 38.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 1.6100000000000001 109.265 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.05 164.82 32.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 1.24 110.989 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.12 -49.5 67.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.81999999999999995 109.264 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -155.42 152.63 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.525 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.84 142.22 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.5 109.249 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -117.03 151.42 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.394 1.059 . . . . 1.77 110.299 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.3 mt -147.65 141.37 25.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.47999999999999998 109.287 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -134.06 158.65 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.53000000000000003 109.53 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.9 m-85 -155.67 130.72 9.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 1.96 110.974 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.778 ' H ' HG21 ' A' ' 5' ' ' VAL . 12.2 m -71.87 -28.53 63.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 1.95 109.967 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -155.37 132.81 11.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 4.25 110.296 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' LEU . 4.1 t30 -167.57 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 3.8300000000000001 109.297 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' ASN . 15.2 tp 36.12 68.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 7.8099999999999996 109.304 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.469 ' O ' ' C ' ' A' ' 31' ' ' THR . 2.4 t -150.99 -48.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 4.8899999999999997 109.324 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 31' ' ' THR . 7.7 t 33.64 61.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 4.3200000000000003 110.415 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -104.42 -73.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 4.5800000000000001 110.33 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.465 ' HB2' HG11 ' A' ' 86' ' ' VAL . 35.1 m-85 -106.37 19.87 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 3.8500000000000001 110.975 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.4 p -85.66 136.91 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 1.6699999999999999 109.996 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.93 -172.46 36.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.456 1.097 . . . . 0.83999999999999997 111.054 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.75 161.8 40.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.723 . . . . 0.82999999999999996 109.329 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.03 124.74 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 2.5099999999999998 109.324 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 79' ' ' TYR . 5.3 tp -97.38 130.3 44.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.69999999999999996 109.253 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.73 ' N ' HD12 ' A' ' 38' ' ' LEU . 10.4 m -128.15 134.66 64.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.355 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.05 94.38 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.78 110.916 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -105.76 60.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 1.03 110.384 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -65.02 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 2.1000000000000001 109.273 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -139.9 161.97 53.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 3.9199999999999999 110.951 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 79.74 2.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 3.6099999999999999 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.93 -65.78 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 3.8999999999999999 111.029 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.2 mtp -121.22 92.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 5.46 111.022 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.2 78.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 5.75 110.315 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.3 p80 40.21 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 7.1100000000000003 109.559 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.1 90.74 50.27 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 2.2599999999999998 110.06 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.69 31.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 1.3 111.007 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.9 129.33 56.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 2.77 110.955 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.09 139.43 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.1 p -101.44 167.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.94999999999999996 109.292 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -92.79 111.33 22.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 3.5699999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.62 174.58 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.66000000000000003 109.263 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.58 144.49 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.64000000000000001 109.294 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -109.78 126.29 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 2.1000000000000001 109.299 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.541 ' O ' HG12 ' A' ' 67' ' ' VAL . 13.0 m -143.35 151.41 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.5600000000000001 109.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -86.48 151.61 24.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 1.1699999999999999 111.0 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.55 -149.32 10.3 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.039 -0.824 . . . . 2.1000000000000001 111.039 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.35 -55.16 8.0 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 1.9399999999999999 111.022 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.22 157.84 33.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 2.27 109.303 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.72 21.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 1.25 111.029 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -14.65 48.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 3.48 109.292 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -107.55 119.31 39.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.76000000000000001 110.431 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.93 159.3 15.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 1.5600000000000001 111.032 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' SER . 7.3 p -153.34 124.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 2.8599999999999999 109.277 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.722 HG13 HG12 ' A' ' 57' ' ' VAL . 1.1 mp -101.18 123.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.56999999999999995 109.351 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.08 112.36 33.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.75 110.41 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.07 136.17 19.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.73999999999999999 110.967 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.57 -21.84 55.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.77000000000000002 109.296 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.06 152.45 46.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.87 109.991 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.546 1.814 . . . . 0.72999999999999998 110.995 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 22.5 mt -74.84 116.8 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.56000000000000005 109.325 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.0 p -88.51 172.08 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.88 110.449 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.07 161.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.71999999999999997 109.32 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.72 -154.58 18.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.58999999999999997 110.974 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.9 m -132.33 135.13 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.65000000000000002 110.342 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -136.61 153.93 50.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 2.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 0.2 OUTLIER -122.12 114.24 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 3.2400000000000002 109.284 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.648 HG22 HD13 ' A' ' 38' ' ' LEU . 70.8 t -91.76 98.05 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.66000000000000003 109.302 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.31 117.86 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.74 109.329 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 33.3 p-90 -114.65 156.11 25.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.66000000000000003 108.046 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -138.26 117.22 12.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 4.04 110.307 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.55 153.28 17.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.1299999999999999 109.341 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 33' ' ' PHE . 77.4 t -149.83 140.14 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 2.4399999999999999 109.288 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -135.75 176.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 3.5600000000000001 110.091 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.79 145.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 3.54 110.022 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t0 66.39 161.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 5.3700000000000001 109.33 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.1 m -62.71 102.51 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 1.054 . . . . 4.7599999999999998 110.358 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 71.26 6.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 7.3899999999999997 109.567 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.14 5.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 2.3700000000000001 110.96 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.24 123.12 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 2.5800000000000001 109.26 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.7 p -109.85 137.33 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.1299999999999999 110.34 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.82 159.93 29.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.63 110.978 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -143.36 166.79 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.72999999999999998 109.976 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.825 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.7 t -146.45 103.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.39000000000000001 109.262 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -84.74 142.23 29.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.54000000000000004 110.408 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 20.6 p90 -152.45 145.5 24.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.72 110.954 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -102.47 162.15 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 2.46 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 91.2 t -136.19 122.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.56999999999999995 109.34 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 3.4300000000000002 109.298 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.575 -0.528 . . . . 10.970000000000001 109.575 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 5.5099999999999998 111.026 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HG2' ' CH2' ' A' ' 83' ' ' TRP . 2.2 mttp -150.22 165.25 33.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.185 . . . . 5.4199999999999999 109.271 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -56.28 173.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.52 109.269 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.57 HG21 ' H ' ' A' ' 26' ' ' SER . 16.2 t -59.45 -78.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 1.3799999999999999 109.287 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.558 ' N ' HD22 ' A' ' 4' ' ' LEU . 9.3 m -142.52 154.31 44.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.87 109.974 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.939 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.2 p -157.93 165.58 34.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.413 1.071 . . . . 0.60999999999999999 110.019 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 8' ' ' THR . 5.3 m -137.7 58.35 16.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.82999999999999996 110.458 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.96 -69.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.42999999999999999 111.027 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 13' ' ' SER . . . 178.14 44.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.51000000000000001 109.296 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.592 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -41.49 105.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 2.6200000000000001 110.31 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.34 39.68 2.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.73999999999999999 110.97 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.587 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 3.2 t -71.96 98.72 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 2.2999999999999998 109.989 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -108.95 125.44 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.1899999999999999 110.224 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.54 -45.07 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 1.1399999999999999 110.995 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.92 157.77 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 0.751 . . . . 2.0099999999999998 109.312 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -78.65 137.49 58.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.9199999999999999 109.292 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 157.65 42.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.434 1.755 . . . . 1.3700000000000001 111.07 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . . . -55.08 -53.89 50.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.76000000000000001 109.369 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.755 ' HE2' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.87 156.77 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.347 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.65 142.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.59999999999999998 109.301 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.7 mt-10 -116.65 150.1 38.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 110.332 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.939 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -147.61 144.31 28.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.56000000000000005 109.316 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.613 ' O ' HD23 ' A' ' 4' ' ' LEU . 70.0 m-70 -134.83 157.41 46.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.80000000000000004 109.624 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 4' ' ' LEU . 10.8 m-85 -155.33 108.14 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 2.4900000000000002 111.01 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.57 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -69.71 -6.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.1800000000000002 110.043 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -118.42 59.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 4.7699999999999996 110.304 179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' GLU . 2.4 t30 -40.01 131.86 1.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 6.6500000000000004 109.338 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' VAL . 1.3 tp -156.13 25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 6.6900000000000004 109.284 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 31' ' ' THR . 1.0 OUTLIER 55.87 166.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 5.4699999999999998 109.293 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 31' ' ' THR . 14.7 t -80.52 50.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 5.8799999999999999 110.361 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' OE1' HG12 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -38.98 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 5.8200000000000003 110.212 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' THR . 61.2 m-85 39.18 28.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 5.1500000000000004 110.951 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -105.95 175.61 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 1.28 110.02 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.55 -161.01 34.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.88 111.01 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.56 174.21 11.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 0.85999999999999999 109.325 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.66 127.06 8.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 2.23 109.362 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 81' ' ' VAL . 13.5 tp -95.22 131.37 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.91000000000000003 109.323 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 80' ' ' LYS . 34.0 m -127.55 137.6 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.92000000000000004 109.286 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -93.15 94.68 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.6699999999999999 111.015 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 41' ' ' THR . 13.9 t -98.78 59.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.22 110.432 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.1 -167.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 2.3300000000000001 109.274 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 ptp -47.46 142.4 6.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 6.5599999999999996 111.073 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -88.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 6.04 111.024 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.0 -60.67 1.39 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 5.2000000000000002 111.025 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 69.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 6.8700000000000001 110.966 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.5 70.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 6.9800000000000004 110.353 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.55 46.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 13.1 109.58 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.497 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -83.68 -55.85 0.47 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 6.5300000000000002 109.971 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 49' ' ' SER . 18.5 Cg_endo -74.98 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 3.0299999999999998 110.993 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -140.87 129.43 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 3.2999999999999998 110.969 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 143.4 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.3100000000000001 109.327 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.79 166.26 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 1.46 109.298 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -100.32 92.96 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 4.4500000000000002 109.354 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -121.49 175.24 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.03 109.35 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.66 150.79 52.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 109.299 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.91 123.45 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.9399999999999999 109.295 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 m -131.22 175.65 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.22 110.068 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -112.06 154.58 16.72 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.91000000000000003 111.053 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.37 60.3 2.21 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.928 -0.869 . . . . 2.4100000000000001 110.928 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.75 -62.27 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.997 -0.841 . . . . 2.48 110.997 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 154.32 41.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 2.8199999999999998 109.304 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.818 . . . . 1.3899999999999999 110.956 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.44 -37.31 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 2.2799999999999998 109.253 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -95.89 123.85 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.68000000000000005 110.397 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 mpp? -109.34 162.63 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.53 110.952 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 8.4 p -156.02 122.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 2.54 109.34 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -96.45 126.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.71999999999999997 109.313 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.11 112.13 17.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.88 110.338 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.02 135.56 19.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.89000000000000001 110.968 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.73 73.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 1.23 109.309 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.3 155.4 36.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.1899999999999999 110.056 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.31 24.32 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 1.25 111.061 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 38' ' ' LEU . 28.7 mt -85.1 116.25 23.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.77000000000000002 109.311 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -91.09 174.53 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.1399999999999999 110.429 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -59.35 160.95 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 1.0900000000000001 109.256 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -143.52 14.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0900000000000001 111.023 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.489 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 49.0 m -133.95 141.77 47.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 1.1799999999999999 110.484 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 30.1 m-85 -144.21 154.85 43.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 2.29 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -133.49 114.33 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 3.1800000000000002 109.252 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.796 HG22 HD13 ' A' ' 38' ' ' LEU . 31.7 t -92.79 103.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.68999999999999995 109.34 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -91.66 117.76 30.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.77 109.274 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.572 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 23.6 p-90 -115.22 153.49 30.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.955 -1.128 . . . . 0.77000000000000002 107.955 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.649 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -148.75 125.54 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 4.9199999999999999 110.292 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 93' ' ' ILE . . . -115.14 113.75 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.3799999999999999 109.272 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.4 t -85.31 150.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 2.5899999999999999 109.281 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -150.02 172.01 15.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 3.1400000000000001 110.02 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.57 162.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 3.6800000000000002 109.986 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.15 172.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 6.1600000000000001 109.275 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -79.74 -179.51 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 4.8099999999999996 110.426 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 57.52 85.68 0.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 4.9699999999999998 109.586 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -172.96 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 1.8600000000000001 111.026 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 85' ' ' ALA . 1.9 mt -105.1 136.19 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.5699999999999998 109.294 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.649 HG22 ' HG2' ' A' ' 84' ' ' ARG . 64.6 p -138.77 148.38 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 1.6100000000000001 110.328 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 162.41 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 1.02 110.966 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.41 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -140.06 149.79 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.04 109.992 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.743 HG21 ' HG2' ' A' ' 9' ' ' PRO . 86.3 t -130.48 99.49 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.76000000000000001 109.297 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 t -84.7 145.9 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.88 110.45 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.8 p90 -157.04 152.79 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.9199999999999999 111.043 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.35 161.26 15.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 3.9900000000000002 109.307 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 17' ' ' ALA . 92.7 t -134.28 127.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.1200000000000001 109.293 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 3.1000000000000001 109.346 179.972 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 65.2 m80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 9.6600000000000001 109.598 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 101.67 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 8.9399999999999995 110.993 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 162.78 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 4.7400000000000002 109.279 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -59.48 110.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 1.6899999999999999 109.292 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' ' 4' ' ' LEU . 93.1 t -56.92 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.71999999999999997 109.328 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.468 ' O ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -142.05 151.28 42.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.55000000000000004 109.975 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.819 ' HB2' HD23 ' A' ' 23' ' ' LEU . 53.9 p -157.56 167.02 31.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.48999999999999999 109.985 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.0 m -136.49 58.62 21.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.77000000000000002 110.458 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.772 . . . . 0.5 110.997 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 175.21 45.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.619 1.2 . . . . 0.51000000000000001 109.299 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.08 110.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 3.2000000000000002 110.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 37.57 37.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.70999999999999996 111.039 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -74.83 100.87 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.22 109.973 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.62 116.41 31.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 2.1200000000000001 110.312 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.95 -42.86 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.89000000000000001 110.975 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.21 165.55 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 1.8799999999999999 109.247 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.7 138.61 35.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.78 109.257 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 139.98 24.85 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.516 1.798 . . . . 1.5900000000000001 110.989 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.48 -43.92 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.1899999999999999 109.311 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 149.43 25.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 2.27 109.254 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.547 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -89.08 140.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.5 109.312 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 mt-10 -107.94 150.46 27.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 2.02 110.319 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.819 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -146.64 142.79 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.65000000000000002 109.31 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.9 m-70 -136.31 156.84 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.68999999999999995 109.617 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 18.7 m-85 -155.19 95.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 2.1000000000000001 111.09 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -6.58 33.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 2.0699999999999998 109.932 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -142.15 85.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 4.6100000000000003 110.297 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.865 ' C ' HD23 ' A' ' 29' ' ' LEU . 12.4 t-20 -150.45 -54.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.138 . . . . 3.5 109.292 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.865 HD23 ' C ' ' A' ' 28' ' ' ASN . 1.4 pt? 46.58 45.23 14.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 8.1199999999999992 109.318 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.518 ' HB ' ' ND2' ' A' ' 28' ' ' ASN . 1.7 t -141.38 155.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 5.6600000000000001 109.299 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 32' ' ' GLN . 10.6 t -62.68 -49.16 76.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 7.8700000000000001 110.456 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' N ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -173.71 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 12.73 110.26 -179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' HB3' HG11 ' A' ' 86' ' ' VAL . 8.2 m-85 55.71 22.11 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 9.0999999999999996 110.965 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.8 p -126.63 175.05 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 2.23 109.983 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.76 150.85 22.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 1.3300000000000001 111.01 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 162.02 36.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.92000000000000004 109.316 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -154.92 126.23 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 2.5099999999999998 109.348 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.927 HD13 HG22 ' A' ' 81' ' ' VAL . 13.7 tp -97.67 129.74 44.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.1799999999999999 109.236 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.2 m -113.59 143.66 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.23 109.328 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -97.45 97.06 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 2.5499999999999998 111.033 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.449 HG21 ' HD3' ' A' ' 80' ' ' LYS . 2.8 t -109.56 60.53 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.4199999999999999 110.417 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.5 -73.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 2.1400000000000001 109.345 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.38 114.43 15.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 3.6400000000000001 111.01 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 121.67 6.75 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.455 1.766 . . . . 3.2999999999999998 110.989 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.36 -56.48 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 3.6499999999999999 110.96 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -94.09 85.14 4.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 5.4100000000000001 111.032 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER 33.83 89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 6.8300000000000001 110.305 -179.895 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 38.76 81.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 5.9199999999999999 109.614 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 75.12 61.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.8599999999999999 109.979 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.94 13.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 2.1000000000000001 110.973 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.63 156.02 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 3.2599999999999998 111.035 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.97 145.58 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.1799999999999999 109.281 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' LEU . 1.7 p -110.42 158.84 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.1599999999999999 109.349 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.22 116.91 25.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 4.5499999999999998 109.251 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.4 175.02 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.96999999999999997 109.302 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.65 138.02 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.1699999999999999 109.255 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.22 126.75 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 2.2599999999999998 109.341 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -132.39 175.78 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.4299999999999999 110.002 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -99.36 153.04 19.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.92000000000000004 110.907 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.75 -120.47 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 2.1099999999999999 110.965 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.86 25.18 28.29 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 3.2200000000000002 111.038 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -176.72 158.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 2.6099999999999999 109.301 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.446 1.761 . . . . 1.6699999999999999 111.049 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -13.0 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 3.3799999999999999 109.3 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 24' ' ' HIS . 1.2 m -117.97 132.36 56.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.78000000000000003 110.398 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.21 167.54 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.4399999999999999 110.942 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' ILE . 8.7 p -156.19 137.52 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 2.6200000000000001 109.329 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -106.17 123.38 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.552 1.157 . . . . 0.5 109.316 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.48 107.94 23.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.90000000000000002 110.384 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.04 134.78 18.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.80000000000000004 111.003 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.68 61.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 1.3600000000000001 109.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.73 152.38 44.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.01 110.028 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.2 21.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.572 1.827 . . . . 1.1200000000000001 111.008 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mt -88.24 117.53 27.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.67000000000000004 109.289 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -95.25 167.21 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.75 110.36 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -46.38 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.592 1.183 . . . . 0.72999999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.86 -156.2 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.58999999999999997 110.987 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.4 m -128.53 141.27 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.72999999999999998 110.336 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.0 m-85 -142.32 163.14 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 2.02 110.952 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -134.85 115.59 13.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 5.29 109.317 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.927 HG22 HD13 ' A' ' 38' ' ' LEU . 38.6 t -91.17 104.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.66000000000000003 109.29 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -98.28 109.94 22.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 2.0899999999999999 109.293 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.522 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 61.3 p-90 -105.55 155.74 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.78000000000000003 107.962 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER -139.47 128.34 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 3.7599999999999998 110.308 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.69 147.86 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.4299999999999999 109.328 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 33' ' ' PHE . 3.5 p -84.95 169.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 2.8599999999999999 109.274 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 86' ' ' VAL . 2.6 p -158.04 -47.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 5.9100000000000001 109.941 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER 73.82 161.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 5.9100000000000001 109.965 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 88' ' ' SER . 0.3 OUTLIER 75.83 -59.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 5.6299999999999999 109.278 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.9 p -114.53 174.05 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 5.0 110.405 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -42.99 154.62 0.29 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 4.6900000000000004 109.6 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.7 9.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 2.3500000000000001 111.025 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.5 mm -113.95 139.61 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 2.7400000000000002 109.26 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.643 HG22 ' CG ' ' A' ' 84' ' ' ARG . 71.4 p -131.04 168.48 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.84999999999999998 110.39 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -168.69 160.5 34.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.69999999999999996 111.031 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.52 150.88 37.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 1.04 110.0 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -142.7 100.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.312 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -85.69 137.95 32.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.64000000000000001 110.367 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.87 152.9 33.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.427 1.079 . . . . 1.79 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -107.33 162.12 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.273 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.8 t -136.73 121.0 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.57999999999999996 109.311 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 2.4300000000000002 109.307 179.998 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 12.8 m170 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.594 -0.521 . . . . 8.8699999999999992 109.594 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 93' ' ' ILE . 18.2 Cg_endo -74.98 55.57 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 6.7199999999999998 111.028 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -139.36 128.0 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 5.2699999999999996 109.303 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.862 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.03 171.45 8.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.46 109.299 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.64 HG11 ' H ' ' A' ' 26' ' ' SER . 47.8 t -54.03 -81.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.568 1.168 . . . . 1.4399999999999999 109.353 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -145.42 142.78 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.96999999999999997 109.994 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.862 ' HB2' HD23 ' A' ' 23' ' ' LEU . 72.9 p -155.98 167.66 29.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.47999999999999998 109.972 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' HG22 ' A' ' 8' ' ' THR . 2.7 m -135.85 57.31 18.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.72999999999999998 110.446 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.94 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.55000000000000004 110.966 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.73999999999999999 109.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.541 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -42.41 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 3.29 110.295 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 33.37 60.8 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 1.22 111.048 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.36 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 2.3399999999999999 109.978 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -101.78 128.92 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.2200000000000002 110.318 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.03 -115.41 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.74 111.0 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.43 76.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 4.6600000000000001 109.259 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . 68.8 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.7999999999999998 109.367 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.98 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 2.3500000000000001 110.987 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.95999999999999996 109.349 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 164.37 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 2.5699999999999998 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.578 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -103.88 137.29 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.05 109.279 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -104.9 149.01 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.6699999999999999 110.354 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.8 mt -147.9 143.67 27.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.83999999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 38.7 m-70 -141.26 165.79 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.78000000000000003 109.564 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -155.39 102.66 2.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.0899999999999999 110.975 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.64 ' H ' HG11 ' A' ' 5' ' ' VAL . 30.0 t -69.44 -7.21 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.6399999999999999 110.006 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.64 103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 3.9100000000000001 110.351 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.631 ' ND2' ' HB1' ' A' ' 85' ' ' ALA . 1.8 t-20 -176.69 -45.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 5.6600000000000001 109.293 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.52 ' O ' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER 38.99 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 5.9299999999999997 109.359 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.767 HG22 ' HB3' ' A' ' 34' ' ' SER . 41.7 t -39.02 -91.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 5.79 109.254 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.588 ' N ' HG12 ' A' ' 30' ' ' VAL . 2.4 t 35.75 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 5.4000000000000004 110.437 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -141.05 -86.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 6.1500000000000004 110.27 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -159.83 30.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 4.3499999999999996 110.943 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.767 ' HB3' HG22 ' A' ' 30' ' ' VAL . 17.8 t -84.35 148.43 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 1.79 110.013 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.18 -166.37 27.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.93000000000000005 111.056 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.51 160.16 40.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 0.794 . . . . 0.79000000000000004 109.293 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -154.9 128.03 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 2.5499999999999998 109.33 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 39' ' ' VAL . 7.8 tp -89.68 130.47 35.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.83999999999999997 109.365 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 ' N ' HD12 ' A' ' 38' ' ' LEU . 11.2 m -126.88 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.75 109.319 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -93.39 94.94 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.6399999999999999 111.042 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 41' ' ' THR . 13.3 t -102.54 59.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.93000000000000005 110.348 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 -41.19 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 2.0099999999999998 109.32 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.76 100.17 21.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 4.46 111.021 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 65.37 6.1 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 6.1600000000000001 110.968 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.27 48.43 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 5.71 111.017 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.1 mmm -131.94 62.57 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 5.7199999999999998 110.993 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 46.09 30.24 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 6.7000000000000002 110.315 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.5 t60 60.75 72.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 8.0199999999999996 109.646 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 74.76 12.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 3.7000000000000002 110.096 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.4 20.46 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.448 1.762 . . . . 2.1400000000000001 110.956 -179.931 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtp -106.44 107.11 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.5699999999999998 110.989 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 141.77 57.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.1200000000000001 109.307 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.432 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 2.8 p -113.54 137.8 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.4099999999999999 109.277 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.6 91.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 3.1899999999999999 109.316 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -118.58 175.16 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.1100000000000001 109.356 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.68 139.18 43.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.4199999999999999 109.282 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -105.59 117.96 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 2.9100000000000001 109.264 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -113.2 174.24 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 1.3899999999999999 109.951 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.65 152.82 24.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.97999999999999998 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.43 43.16 3.17 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.823 . . . . 2.21 111.041 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.16 -49.49 4.11 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.982 -0.847 . . . . 4.1399999999999997 110.982 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.99 147.46 45.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 3.4500000000000002 109.243 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 2.98 111.02 179.918 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -24.5 16.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 2.8100000000000001 109.321 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.495 ' O ' ' HE2' ' A' ' 66' ' ' MET . 2.5 m -104.17 117.08 33.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 1.05 110.36 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.495 ' HE2' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -122.79 151.25 41.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 1.25 111.003 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.16 118.15 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.8300000000000001 109.291 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -88.53 123.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.04 109.359 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.4 101.36 13.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.01 110.409 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 1.02 110.922 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.02 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.3799999999999999 109.328 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.88 147.49 33.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.1599999999999999 109.998 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.65 10.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.438 1.757 . . . . 1.1200000000000001 110.954 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.716 HD12 ' HD2' ' A' ' 18' ' ' PRO . 25.1 mt -64.13 117.54 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.88 109.297 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -87.08 160.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.76000000000000001 110.427 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.99 151.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.81999999999999995 109.311 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.95 -160.53 23.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.108 . . . . 0.56999999999999995 110.971 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 44.7 m -124.96 137.9 54.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.63 110.373 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 m-85 -141.36 173.31 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 1.79 111.015 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -153.49 120.41 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 2.8799999999999999 109.319 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 38' ' ' LEU . 75.6 t -84.96 107.48 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.87 109.316 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.39 118.26 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 2.3199999999999998 109.324 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.582 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 19.2 p-90 -116.85 149.2 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.57999999999999996 107.99 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.849 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -134.13 130.73 37.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 2.8399999999999999 110.348 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.631 ' HB1' ' ND2' ' A' ' 28' ' ' ASN . . . -121.61 119.72 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.93999999999999995 109.296 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 92' ' ' PRO . 88.9 t -99.98 105.04 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 2.9199999999999999 109.267 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 m -71.5 165.53 23.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 3.6800000000000002 109.959 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.9 p -72.01 66.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 3.6800000000000002 109.989 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -176.14 168.91 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 5.6399999999999997 109.256 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 59.9 p -82.99 62.66 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 5.54 110.351 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -168.22 82.18 0.78 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 4.9100000000000001 109.53 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -75.03 150.28 37.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 1.76 111.015 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.687 HG23 ' HA ' ' A' ' 2' ' ' PRO . 4.8 mp -116.06 141.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 2.6499999999999999 109.292 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.849 HG22 ' HG2' ' A' ' 84' ' ' ARG . 25.0 p -121.63 142.38 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 1.1299999999999999 110.412 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.19 164.09 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.986 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.66 149.91 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.81000000000000005 109.971 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 9' ' ' PRO . 15.9 t -126.36 106.82 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.46999999999999997 109.305 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.6 t -87.79 135.33 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.44 110.346 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.8 p90 -146.77 160.65 41.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 1.8999999999999999 111.024 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 162.06 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 3.9500000000000002 109.281 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 17.0 t -145.53 112.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 109.277 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.5600000000000001 109.362 179.937 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.584 -0.524 . . . . 10.35 109.584 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 109.39 2.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 4.8600000000000003 110.98 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 4.3300000000000001 109.289 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -53.3 173.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.97999999999999998 109.242 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.627 ' N ' HD22 ' A' ' 4' ' ' LEU . 71.1 t -64.91 -84.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.73999999999999999 109.354 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.537 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -133.89 150.4 51.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.65000000000000002 109.98 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.9 p -157.31 165.38 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.47999999999999998 110.035 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.526 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.8 m -136.9 58.3 18.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.63 110.384 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.772 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 -64.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.782 . . . . 0.46999999999999997 110.995 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.46 45.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.70999999999999996 109.298 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.59 109.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 3.0800000000000001 110.346 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.35 53.25 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 1.2 111.015 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.29 116.5 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 1.71 110.041 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -101.84 122.61 44.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 3.0899999999999999 110.276 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.3 -87.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 1.6499999999999999 110.97 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -177.47 -169.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 2.1000000000000001 109.256 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -43.52 109.69 0.83 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 2.8999999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.0 Cg_endo -75.09 -170.62 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 2.1099999999999999 110.996 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.79 -71.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.82999999999999996 109.33 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.72 150.83 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.339 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -86.56 145.86 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.48999999999999999 109.335 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 tt0 -117.05 149.32 40.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 2.3399999999999999 110.277 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -147.85 143.72 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.322 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 61.3 m-70 -134.55 156.97 47.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.646 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 6.5 m-85 -152.91 106.87 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.6899999999999999 111.039 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.609 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -71.04 -5.97 35.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 1.55 109.992 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -116.82 28.12 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 3.8599999999999999 110.32 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.676 ' OD1' HG23 ' A' ' 30' ' ' VAL . 4.4 t-20 61.44 143.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 4.0499999999999998 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.974 HD13 ' HE3' ' A' ' 66' ' ' MET . 1.6 tt -115.87 54.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 8.7400000000000002 109.328 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG23 ' OD1' ' A' ' 28' ' ' ASN . 1.1 t -41.72 142.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 4.0199999999999996 109.357 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -96.86 61.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 4.4000000000000004 110.43 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 1.5 tp-100 -95.03 -44.72 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 5.0300000000000002 110.256 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -148.85 20.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 3.96 110.957 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.52 164.71 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 1.5700000000000001 110.02 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.45 154.31 8.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.415 1.072 . . . . 1.3200000000000001 111.006 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.66 160.26 39.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.71999999999999997 109.313 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.4300000000000002 109.309 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.925 HD12 ' N ' ' A' ' 39' ' ' VAL . 3.0 tp -93.86 137.96 32.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.95999999999999996 109.329 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.925 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.1 m -132.4 134.98 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.56999999999999995 109.328 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 13.2 ttt -88.08 96.28 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 2.5899999999999999 111.008 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -105.0 58.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.077 . . . . 0.95999999999999996 110.415 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.19 -61.91 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 2.0800000000000001 109.285 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.87 162.35 44.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 3.9900000000000002 111.026 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 3.4300000000000002 110.976 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.55 -57.83 1.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 3.8799999999999999 111.015 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.4 75.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 5.7300000000000004 111.069 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 51.28 65.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 6.4100000000000001 110.331 -179.893 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.7 t60 65.48 77.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 5.9299999999999997 109.593 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.79 75.58 42.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 2.5 110.054 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.9 12.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 1.7 110.962 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mmt -124.66 120.95 33.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 2.3599999999999999 111.0 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.46 160.65 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 1.3899999999999999 109.332 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.13 124.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.4299999999999999 109.265 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -52.35 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 3.52 109.332 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -141.48 174.15 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.63 109.288 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.66 145.29 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.371 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 68' ' ' ILE . 9.4 p -92.56 131.2 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 2.23 109.272 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.61 124.66 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.22 109.986 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -70.51 153.0 51.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.93999999999999995 111.026 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.26 -143.09 7.11 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.998 -0.841 . . . . 1.9399999999999999 110.998 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.33 -46.53 91.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 2.48 110.961 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -106.01 157.01 35.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 3.3700000000000001 109.269 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.33 21.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 1.9299999999999999 110.993 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -15.59 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 2.6499999999999999 109.351 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.532 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.5 m -108.19 114.87 29.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.84999999999999998 110.447 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.974 ' HE3' HD13 ' A' ' 29' ' ' LEU . 3.3 tpp -98.85 153.5 18.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 1.8799999999999999 110.944 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 77.4 t -142.66 116.98 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.583 1.177 . . . . 1.72 109.288 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -87.88 122.97 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.5 109.317 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.73 111.32 22.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.60999999999999999 110.354 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.53 1.805 . . . . 0.52000000000000002 111.065 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.41 -17.58 63.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.91000000000000003 109.279 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 149.97 51.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 110.0 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.05 16.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.81000000000000005 110.991 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.658 HD12 ' HD2' ' A' ' 18' ' ' PRO . 31.4 mt -73.05 115.19 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.81000000000000005 109.279 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -84.68 165.65 17.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.69999999999999996 110.376 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -50.28 131.92 24.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.1200000000000001 109.265 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.2 -158.28 27.73 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.586 1.179 . . . . 0.71999999999999997 111.039 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 17.0 m -129.94 138.33 50.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.83999999999999997 110.383 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.884 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.7 m-85 -139.92 173.81 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 1.95 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 114.34 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 2.1800000000000002 109.245 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.773 HG22 ' HB2' ' A' ' 38' ' ' LEU . 64.9 t -85.48 110.24 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.62 109.289 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.32 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.8700000000000001 109.337 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 24.3 p-90 -118.84 152.26 36.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.194 . . . . 0.5 107.949 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -142.51 120.43 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 4.1600000000000001 110.365 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 93' ' ' ILE . . . -113.28 118.0 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.93999999999999995 109.309 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 92' ' ' PRO . 50.2 t -100.81 86.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 2.9300000000000002 109.283 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -49.18 6.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 2.98 110.025 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t 171.0 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 3.7999999999999998 109.965 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -158.43 -156.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 5.8499999999999996 109.26 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 90' ' ' THR . 51.9 m 47.33 55.08 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 6.0099999999999998 110.459 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.3 m170 62.18 141.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 5.0999999999999996 109.586 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.757 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.6 Cg_endo -74.96 -171.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 1.79 111.036 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 85' ' ' ALA . 5.3 mt -123.56 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 3.0800000000000001 109.255 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.5 p -89.13 148.29 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.93000000000000005 110.399 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.37 158.74 30.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.46000000000000002 111.028 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 m -144.16 160.48 40.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 0.757 . . . . 0.91000000000000003 109.998 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.772 HG11 ' HG2' ' A' ' 9' ' ' PRO . 7.5 t -138.28 109.8 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.317 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.1 133.59 35.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.54000000000000004 110.449 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -141.23 157.35 45.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.76 110.941 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -106.87 159.36 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 5.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 76' ' ' ALA . 48.9 t -140.3 114.92 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.59999999999999998 109.247 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 2.2400000000000002 109.329 -179.994 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.456 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.618 -0.512 . . . . 10.380000000000001 109.618 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.11 55.44 4.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.436 1.756 . . . . 5.2599999999999998 110.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.85 150.19 32.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 4.2400000000000002 109.304 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.58 173.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.93999999999999995 109.345 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.36 -78.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.81999999999999995 109.277 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.549 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -144.4 151.77 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.64000000000000001 110.019 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.973 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.4 p -156.48 165.24 36.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.35999999999999999 109.99 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.484 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.9 m -138.68 60.51 19.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.72999999999999998 110.425 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -77.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.40999999999999998 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -172.34 47.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.56000000000000005 109.28 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -44.37 103.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 2.25 110.295 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.82 36.89 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.78000000000000003 110.952 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.74 96.6 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.1499999999999999 109.922 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.42 122.26 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.74 110.274 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -52.23 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 0.96999999999999997 110.957 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -166.89 162.22 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 0.722 . . . . 1.8899999999999999 109.271 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.95 140.39 73.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 1.6499999999999999 109.318 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -74.97 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 3.1600000000000001 110.965 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 84.62 -48.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.99 109.278 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.04 27.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 3.6499999999999999 109.243 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -108.98 147.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.52000000000000002 109.324 -179.946 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -117.36 147.99 42.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.4199999999999999 110.321 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.6 mt -148.11 144.81 28.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.51000000000000001 109.308 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 59.6 m-70 -137.43 154.85 49.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.69999999999999996 109.57 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -154.9 164.85 38.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.99 111.012 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 p -109.8 -16.88 13.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3300000000000001 109.956 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -154.68 31.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.453 1.096 . . . . 4.6799999999999997 110.3 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 7.2 t-20 -40.71 -79.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 5.0099999999999998 109.292 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 39.7 79.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 6.0800000000000001 109.349 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.779 HG13 ' HB3' ' A' ' 34' ' ' SER . 66.0 t -56.33 -98.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.404 1.065 . . . . 5.4699999999999998 109.284 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.599 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.8 m 49.5 50.38 18.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 4.54 110.419 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.85 ' HB2' HG11 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -162.77 -86.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.427 1.08 . . . . 6.1900000000000004 110.227 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -159.42 26.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 4.1200000000000001 111.023 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.779 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.1 t -84.41 141.79 30.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 1.6100000000000001 110.016 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.5 176.26 46.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.85999999999999999 110.973 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -136.55 163.47 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.66000000000000003 109.353 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -155.69 128.77 8.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.7799999999999998 109.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.969 HD13 HG22 ' A' ' 81' ' ' VAL . 59.0 tp -90.92 130.66 36.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0800000000000001 109.313 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 52' ' ' ALA . 35.0 m -129.84 140.86 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.89000000000000001 109.345 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.8 ttm -94.31 95.67 9.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 2.79 111.009 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 41' ' ' THR . 9.5 t -122.54 59.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 1.0600000000000001 110.378 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -54.31 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 2.3500000000000001 109.341 179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.6 tpt -116.69 92.94 39.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 5.3499999999999996 110.993 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.52 1.8 . . . . 4.04 111.038 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -34.86 1.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 4.0800000000000001 111.027 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mmt -87.45 62.94 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 5.54 111.037 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.1 74.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 7.6900000000000004 110.339 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.07 87.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 6.5099999999999998 109.638 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.3 p -120.07 78.77 25.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 3.0699999999999998 109.975 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 143.51 28.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.822 . . . . 1.9199999999999999 110.936 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.3 mtp -110.61 104.92 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 3.04 111.019 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.12 138.6 25.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.87 109.255 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG11 HD23 ' A' ' 38' ' ' LEU . 2.7 p -110.36 158.06 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.93000000000000005 109.291 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -79.93 99.47 7.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 4.8099999999999996 109.276 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -143.59 174.86 10.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.75 109.343 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.13 144.99 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.72999999999999998 109.364 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.17 127.13 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 2.1200000000000001 109.308 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -136.25 128.99 30.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 1.4399999999999999 109.963 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 167.04 54.65 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 1.3100000000000001 111.06 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.69 65.21 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 2.7400000000000002 110.963 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.52 -53.83 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.026 -0.829 . . . . 2.0600000000000001 111.026 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 145.88 41.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 0.833 . . . . 3.75 109.295 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.85 20.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.4099999999999999 110.985 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -23.15 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 2.29 109.24 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -93.59 116.07 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.79000000000000004 110.432 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.494 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.08 147.18 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.6699999999999999 110.987 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 11.3 t -145.41 114.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 1.8100000000000001 109.317 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.723 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -84.7 117.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.68000000000000005 109.224 -179.899 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.69 106.02 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.52000000000000002 110.376 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.99 135.06 18.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.527 1.803 . . . . 0.56999999999999995 111.077 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.99 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.87 109.322 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 151.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.04 110.06 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.09 17.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 1.0600000000000001 111.027 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 38' ' ' LEU . 20.4 mt -76.49 116.77 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.1399999999999999 109.28 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -98.1 174.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 1.21 110.356 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.741 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 1.1299999999999999 109.306 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.72 -146.02 18.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.89000000000000001 110.999 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.2 m -154.03 135.98 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 1.23 110.411 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -138.79 174.43 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 2.0699999999999998 111.013 -179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.61 114.72 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 2.54 109.31 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.969 HG22 HD13 ' A' ' 38' ' ' LEU . 16.3 t -85.23 118.57 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.58999999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.75 129.82 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 1.78 109.32 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.466 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.4 p-90 -125.41 159.48 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.947 -1.131 . . . . 0.48999999999999999 107.947 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -150.95 129.84 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.7999999999999998 110.267 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.26 158.06 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.84999999999999998 109.268 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' ' 32' ' ' GLN . 9.2 p -115.56 149.49 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 2.8999999999999999 109.325 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -110.08 -50.33 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 4.04 109.969 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.29 -63.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 4.1900000000000004 110.012 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -175.97 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 7.8200000000000003 109.267 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 p -113.21 54.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 5.4199999999999999 110.422 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -170.11 64.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 6.4400000000000004 109.615 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.17 22.58 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.543 1.812 . . . . 1.9299999999999999 110.964 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.97 101.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 2.7400000000000002 109.263 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.9 p -84.67 175.03 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 1.1599999999999999 110.429 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 176.82 148.42 7.1 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 0.60999999999999999 111.002 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.49 148.83 44.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.89000000000000001 110.02 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.813 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -131.48 107.78 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.64000000000000001 109.272 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.9 t -86.05 141.62 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.56999999999999995 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -149.84 146.79 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.98 111.016 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -106.08 163.37 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 3.27 109.224 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.7 t -145.87 121.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.78000000000000003 109.289 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.3900000000000001 109.273 179.944 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.29 -0.634 . . . . 0.98999999999999999 109.29 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 93.9 t -55.49 -77.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.76000000000000001 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.531 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.9 146.51 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.76000000000000001 110.008 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.968 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.2 p -156.32 163.13 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.51000000000000001 110.004 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 8' ' ' THR . 2.1 m -136.23 59.03 24.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.39 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -73.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.42999999999999999 110.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.699 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -177.27 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.67000000000000004 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.6 OUTLIER -44.35 101.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 2.3599999999999999 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.0 41.35 6.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.79000000000000004 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.434 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.58 93.24 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 2.8799999999999999 109.964 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.444 ' CB ' ' HB2' ' A' ' 100' ' ' LYS . 11.2 mt-10 -107.85 129.17 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 2.6000000000000001 110.327 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.59 -44.32 0.99 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.3899999999999999 110.992 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.76 161.74 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 1.9199999999999999 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 138.38 55.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.5 109.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 1.3899999999999999 110.981 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.93 -53.63 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.71999999999999997 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -155.27 151.52 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 2.5499999999999998 109.334 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.68 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.48999999999999999 109.329 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -114.35 148.48 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.6200000000000001 110.293 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.83 144.28 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.45000000000000001 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 54.4 m-70 -141.15 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.87 109.62 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 3.1 m-85 -154.7 129.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 3.0699999999999998 110.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.4 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 1.55 109.986 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.052 -0.819 . . . . 1.0900000000000001 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.53 152.98 29.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.81999999999999995 109.317 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -155.01 125.04 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 2.3500000000000001 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG22 ' A' ' 81' ' ' VAL . 7.4 tp -95.45 134.03 38.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.62 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.5 m -129.77 132.23 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.66000000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.523 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -88.88 95.49 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 2.5299999999999998 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -111.05 63.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.93000000000000005 110.407 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' H ' ' HE2' ' A' ' 40' ' ' MET . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 2.1800000000000002 109.294 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.504 0.192 . . . . 2.4500000000000002 111.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.73 142.61 54.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.04 109.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.463 HG11 ' HG ' ' A' ' 38' ' ' LEU . 9.3 p -101.3 161.42 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.89000000000000001 109.258 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -84.02 86.19 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 3.2799999999999998 109.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -126.96 175.21 8.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.21 151.07 43.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.66000000000000003 109.249 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -109.17 125.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 2.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.8 m -141.32 132.95 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.1799999999999999 109.996 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.83999999999999997 111.021 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.33 -0.619 . . . . 2.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 m -118.37 122.29 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.73999999999999999 110.385 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.1 tpp -103.08 148.17 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.25 111.026 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 36.3 t -144.99 108.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 1.6200000000000001 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -86.54 125.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.59999999999999998 109.351 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.94 109.48 15.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.54000000000000004 110.387 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.04 18.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.441 1.759 . . . . 0.55000000000000004 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.69 -21.79 63.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.73999999999999999 109.322 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.99 152.3 46.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.93999999999999995 109.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.47 16.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.95999999999999996 111.021 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -75.65 116.08 15.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.71999999999999997 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.0 p -84.98 167.28 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.79000000000000004 110.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -51.21 164.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.80000000000000004 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.19 -149.0 17.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.1 . . . . 0.76000000000000001 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.468 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 70.5 m -132.49 138.97 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.97999999999999998 110.405 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 38' ' ' LEU . 9.0 m-85 -138.05 160.71 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.9199999999999999 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -132.87 117.59 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 2.79 109.312 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.872 HG22 HD13 ' A' ' 38' ' ' LEU . 47.1 t -97.61 100.55 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.58999999999999997 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.65 126.71 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 1.6200000000000001 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 37.9 p-90 -125.46 157.97 35.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.55000000000000004 108.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HG2' HG22 ' A' ' 94' ' ' THR . 7.0 mtp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 4.6200000000000001 110.295 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.34 -0.615 . . . . 2.54 109.34 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 84' ' ' ARG . 58.3 p -109.32 147.49 32.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.81999999999999995 110.408 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.28 153.43 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.56000000000000005 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.77 143.82 45.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.738 . . . . 0.78000000000000003 109.994 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.735 HG21 ' HG2' ' A' ' 9' ' ' PRO . 70.0 t -125.84 99.6 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.58999999999999997 109.251 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.411 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.5 t -85.0 146.12 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.439 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 12.8 p90 -155.59 147.97 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.8400000000000001 110.964 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 14' ' ' GLU . 58.5 mtpt -102.01 163.07 12.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.4500000000000002 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.9 t -138.94 120.83 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 3.3399999999999999 109.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.297 -0.631 . . . . 0.88 109.297 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.509 HG21 ' H ' ' A' ' 26' ' ' SER . 72.8 t -53.39 -77.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.81000000000000005 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.58 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -152.21 146.47 25.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.68999999999999995 109.973 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 46.7 p -155.83 163.92 39.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.47999999999999998 110.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.479 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.6 m -138.09 60.57 23.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.59999999999999998 110.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.762 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.48999999999999999 111.017 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.19 44.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.44 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.15 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.6899999999999999 110.227 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 34.75 3.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 111.018 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.31 98.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 1.3500000000000001 109.978 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -111.55 123.7 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 1.99 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.17 -48.2 0.52 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 0.89000000000000001 110.948 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.94 167.56 12.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 1.72 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.5 130.64 85.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.3500000000000001 109.236 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.97 146.28 32.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 1.24 110.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.25 -57.69 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.78000000000000003 109.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -152.37 171.71 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.601 1.188 . . . . 2.9500000000000002 109.246 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -105.36 140.63 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.47999999999999998 109.281 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -113.95 147.5 38.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.8600000000000001 110.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.1 mt -147.47 144.0 28.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.9 m-70 -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.82999999999999996 109.673 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 19.9 m-85 -151.46 97.95 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 2.8599999999999999 110.965 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.1 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 2.1000000000000001 109.994 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.016 -0.834 . . . . 0.88 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.69 158.27 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.70999999999999996 109.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -154.91 118.55 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 3.1499999999999999 109.382 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 81' ' ' VAL . 5.7 tp -88.64 130.26 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.68999999999999995 109.259 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' N ' HD12 ' A' ' 38' ' ' LEU . 14.2 m -123.08 131.46 73.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.76000000000000001 109.315 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 3.5 tmm? -88.77 95.33 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 2.1800000000000002 110.97 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.68 60.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.1399999999999999 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.0699999999999998 109.279 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.454 -0.254 0 CA-C-O 120.57 0.224 . . . . 2.48 110.964 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.97 144.73 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.88 109.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -115.16 151.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.405 1.066 . . . . 0.92000000000000004 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 130.84 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 3.04 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.71 174.89 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.66000000000000003 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.48 144.43 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.65000000000000002 109.245 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 68' ' ' ILE . 6.0 m -111.3 125.79 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.8500000000000001 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -125.61 174.77 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.1200000000000001 110.031 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 1.05 111.02 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.328 -0.619 . . . . 3.4100000000000001 109.328 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -99.26 128.06 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 1.1000000000000001 110.464 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -126.4 155.05 42.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.8400000000000001 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -154.12 121.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.9099999999999999 109.273 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -95.88 128.93 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.72999999999999998 109.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.6 111.7 10.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.72999999999999998 110.423 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.24 18.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.64000000000000001 110.979 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.75 109.312 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -95.27 146.84 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.1000000000000001 110.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.72999999999999998 110.978 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.648 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.0 mt -77.67 116.33 18.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.60999999999999999 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.9 p -91.32 168.44 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.62 110.416 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.24 150.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.78000000000000003 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.16 -150.54 20.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.12 . . . . 0.56999999999999995 111.043 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 m -134.06 134.1 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.62 110.399 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.694 ' HB3' HD11 ' A' ' 38' ' ' LEU . 21.5 m-85 -138.09 159.66 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.75 111.012 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -131.63 118.58 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 3.0499999999999998 109.261 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.973 HG22 HD13 ' A' ' 38' ' ' LEU . 48.0 t -94.62 105.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.5 109.273 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 117.42 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 1.8500000000000001 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 31.9 p-90 -115.3 159.73 20.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.981 -1.118 . . . . 0.59999999999999998 107.981 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 94' ' ' THR . 1.3 mtp180 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 3.79 110.283 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.7 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.621 . . . . 2.6899999999999999 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 84' ' ' ARG . 18.1 p -88.45 151.88 22.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.73999999999999999 110.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.21 150.15 19.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.621 1.2 . . . . 0.52000000000000002 111.068 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.83 142.59 38.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.81000000000000005 109.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.762 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.3 t -126.16 110.85 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.42999999999999999 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.3 t -90.64 141.58 28.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.54000000000000004 110.411 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -153.97 147.59 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.71 111.011 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -103.82 167.21 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 3.54 109.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.2 t -142.31 119.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.5 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 3.2400000000000002 109.312 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.307 -0.627 . . . . 0.97999999999999998 109.307 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.448 HG21 ' H ' ' A' ' 26' ' ' SER . 38.4 t -55.86 -77.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.71999999999999997 109.33 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.611 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -147.9 150.49 34.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.79000000000000004 109.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.991 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.1 p -155.96 167.3 30.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 0.47999999999999998 109.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 8' ' ' THR . 15.3 m -140.23 58.37 10.59 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.76000000000000001 110.353 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.789 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.02 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.46999999999999997 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.45 45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.46999999999999997 109.308 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.532 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -43.03 110.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 2.3599999999999999 110.299 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.53 35.05 0.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.538 1.149 . . . . 0.81999999999999995 110.982 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.631 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.25 98.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 1.1699999999999999 110.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -106.21 119.88 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.7 110.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.85 -50.76 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.431 1.082 . . . . 0.85999999999999999 110.959 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.33 169.39 12.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 0.737 . . . . 1.71 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -67.9 137.33 92.38 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.3799999999999999 109.299 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.43 21.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.424 1.749 . . . . 1.3899999999999999 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.51 -51.33 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.92000000000000004 109.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 157.18 37.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 2.9300000000000002 109.282 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.551 HG23 ' HB3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -100.34 137.87 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.52000000000000002 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.9 tt0 -112.68 149.76 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.99 110.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.9 mt -147.64 143.54 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.41999999999999998 109.326 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.578 ' O ' HD23 ' A' ' 4' ' ' LEU . 55.9 m-70 -136.55 148.81 47.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.70999999999999996 109.603 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 11.7 m-85 -149.42 95.79 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 2.3700000000000001 111.043 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.1 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.51 109.982 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.042 -0.823 . . . . 1.04 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -155.08 159.89 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.94999999999999996 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.13 118.48 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 3.6400000000000001 109.313 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 74' ' ' LEU . 46.5 tp -85.68 137.76 32.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.28 109.298 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 80' ' ' LYS . 31.1 m -136.26 135.4 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.78000000000000003 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.9 ttt -98.21 96.6 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 1.71 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' THR . 10.3 t -109.89 59.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 1.05 110.419 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 2.4700000000000002 109.3 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.532 0.206 . . . . 4.2599999999999998 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -62.98 144.33 56.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.93999999999999995 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.6 p -130.03 155.86 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.24 109.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.55 134.63 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 3.8399999999999999 109.278 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -154.26 174.87 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.88 109.33 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.65 146.15 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.96999999999999997 109.292 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.526 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -117.03 121.76 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.9099999999999999 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -117.54 175.46 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.3600000000000001 110.007 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 1.3 111.038 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 2.2999999999999998 109.258 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -102.13 118.25 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.75 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.5 150.55 38.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.51 110.949 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -143.16 115.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 2.0899999999999999 109.203 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.607 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.5 mp -87.48 131.44 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.72999999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -141.05 100.38 6.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.67000000000000004 110.465 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.02 135.19 18.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.439 1.757 . . . . 0.77000000000000002 110.958 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.83 82.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.94999999999999996 109.323 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.98 139.89 88.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.27 109.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 1.01 110.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 38' ' ' LEU . 37.3 mt -79.92 116.89 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.66000000000000003 109.235 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 p -101.25 175.04 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.98999999999999999 110.415 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.27 163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.70999999999999996 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.66 -159.99 13.89 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.46 1.1 . . . . 0.64000000000000001 111.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 88.9 m -128.03 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.623 0.837 . . . . 0.88 110.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.6 m-85 -141.73 169.18 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.9099999999999999 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.94 114.82 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 2.8300000000000001 109.306 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.811 HG22 HD13 ' A' ' 38' ' ' LEU . 2.7 t -89.91 112.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.98999999999999999 109.337 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -95.09 124.04 38.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 2.4199999999999999 109.297 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 29.8 p-90 -120.4 157.49 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.66000000000000003 108.007 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.655 ' HG2' HG22 ' A' ' 94' ' ' THR . 3.6 mtp180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 3.1499999999999999 110.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.244 -0.65 . . . . 3.5800000000000001 109.244 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 84' ' ' ARG . 33.3 p -97.28 162.19 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.1000000000000001 110.473 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.55 157.41 29.12 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.486 1.116 . . . . 0.70999999999999996 110.951 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.12 150.1 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.95999999999999996 110.029 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 9' ' ' PRO . 52.4 t -132.14 102.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.58999999999999997 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.8 t -85.54 138.92 31.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.69999999999999996 110.443 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 43.3 p90 -148.93 152.42 36.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 1.8600000000000001 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -103.14 161.34 13.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 17' ' ' ALA . 96.2 t -138.17 118.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.53000000000000003 109.231 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 3.1099999999999999 109.271 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 1.0600000000000001 109.332 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.612 HG21 ' H ' ' A' ' 26' ' ' SER . 19.8 t -62.0 -83.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.81999999999999995 109.225 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.551 ' C ' HD21 ' A' ' 4' ' ' LEU . 2.2 m -137.08 153.13 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.58999999999999997 110.035 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.8 p -156.43 167.61 29.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.38 109.993 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 59.9 m -138.68 59.65 17.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.59999999999999998 110.368 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.901 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -63.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.42999999999999999 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 166.75 48.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.55000000000000004 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.19 108.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 3.1000000000000001 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 33.83 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.77000000000000002 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.588 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.85 99.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.23 109.941 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.66 120.67 43.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.75 110.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.6 -46.5 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.95999999999999996 110.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.14 167.42 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 0.729 . . . . 1.8300000000000001 109.356 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -71.59 138.34 83.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 1.47 109.276 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.49 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.0 129.62 12.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 1.55 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.81 -52.49 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 1.02 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 146.64 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 2.6299999999999999 109.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -89.04 138.86 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.44 109.31 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.4 tt0 -110.9 149.71 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 2.1299999999999999 110.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.67 144.6 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.57999999999999996 109.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 4' ' ' LEU . 76.8 m-70 -134.73 157.14 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.87 109.582 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.1 m-85 -154.68 114.58 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 2.29 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.612 ' H ' HG21 ' A' ' 5' ' ' VAL . 53.3 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.48 110.003 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.956 -0.857 . . . . 0.90000000000000002 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -139.6 158.5 44.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.65000000000000002 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.95 128.83 8.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 2.6299999999999999 109.236 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.051 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -96.81 142.68 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 0.71999999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.886 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.4 m -136.57 136.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.60999999999999999 109.287 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.4 tmm? -88.17 95.68 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.04 110.984 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -106.96 64.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.88 110.371 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.0499999999999998 109.285 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.54 0.209 . . . . 2.2200000000000002 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.25 145.02 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.78000000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 p -110.9 142.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.90000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -72.09 102.17 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 3.4500000000000002 109.315 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.41 174.59 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.65000000000000002 109.25 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.24 138.84 38.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.73999999999999999 109.29 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 68' ' ' ILE . 85.1 t -101.77 119.7 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.6600000000000001 109.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 67' ' ' VAL . 14.5 m -115.24 173.85 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.24 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 1.1499999999999999 111.058 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.275 -0.639 . . . . 2.04 109.275 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.1 m -98.76 134.16 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.96999999999999997 110.426 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.98 145.85 51.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 1.6000000000000001 110.986 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 58' ' ' SER . 2.7 m -145.09 117.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 2.0600000000000001 109.263 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -86.02 121.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.54000000000000004 109.212 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -132.84 95.78 18.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.77000000000000002 110.366 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.79 19.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.77000000000000002 111.011 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.47 82.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.92000000000000004 109.326 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.51 138.63 35.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.96999999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.02 15.97 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.828 . . . . 0.76000000000000001 110.992 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 29.7 mt -79.91 116.14 19.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -86.62 172.21 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.77000000000000002 110.42 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.49 171.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.77000000000000002 109.252 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.16 -152.64 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.67000000000000004 111.017 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.467 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -129.86 136.04 49.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 110.432 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -137.44 150.2 47.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 2.0099999999999998 111.016 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -132.58 114.93 14.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 2.3199999999999998 109.368 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.051 HG22 HD13 ' A' ' 38' ' ' LEU . 22.3 t -89.17 150.67 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 1.3100000000000001 109.241 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 64.7 m-20 -130.63 121.12 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 2.1600000000000001 109.224 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.9 p-90 -116.07 157.22 25.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.59999999999999998 108.03 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.328 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.246 -0.65 . . . . 3.04 109.246 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -119.3 167.6 11.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.05 110.449 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 177.59 156.74 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.569 1.168 . . . . 0.48999999999999999 111.001 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -142.13 158.71 43.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.81000000000000005 109.999 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.901 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -138.1 108.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.48999999999999999 109.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -89.95 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.46999999999999997 110.396 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 24.0 p90 -151.82 150.16 29.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 1.8400000000000001 110.987 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -100.94 168.2 9.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 2.6699999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.633 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.6 t -144.19 117.62 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.59999999999999998 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 3.8500000000000001 109.319 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.316 -0.624 . . . . 1.1100000000000001 109.316 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 ' H ' ' A' ' 26' ' ' SER . 85.2 t -57.1 -79.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.79000000000000004 109.372 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -145.3 151.83 38.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.56000000000000005 109.938 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 73.9 p -155.88 166.36 33.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.34000000000000002 110.0 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.514 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.0 m -136.71 58.9 21.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.83999999999999997 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.778 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.98 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.52000000000000002 111.03 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.48 46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.46999999999999997 109.352 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.55 107.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 2.1400000000000001 110.287 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.95 51.39 4.14 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.102 . . . . 0.81999999999999995 111.037 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -90.43 101.7 14.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.3 109.999 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.97 123.38 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.0099999999999998 110.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.02 -50.57 0.5 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.133 . . . . 1.1699999999999999 111.019 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.68 170.24 8.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 0.826 . . . . 1.95 109.242 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -90.47 136.34 28.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 1.72 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 1.2 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -50.6 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.80000000000000004 109.338 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 155.25 33.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 3.8700000000000001 109.288 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.76 145.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.41999999999999998 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 3.2 tt0 -113.97 148.48 36.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 2.4100000000000001 110.228 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.4 mt -148.52 142.77 26.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.5 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.48 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.8 m-70 -135.21 159.83 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.76000000000000001 109.607 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 19.9 m-85 -154.99 151.9 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 2.1299999999999999 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.426 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 1.7 109.916 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.972 -0.851 . . . . 0.91000000000000003 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 167.54 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 0.717 . . . . 0.81000000000000005 109.321 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -155.33 129.48 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 2.4500000000000002 109.344 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.084 HD13 HG22 ' A' ' 81' ' ' VAL . 21.0 tp -96.13 133.54 40.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' H ' HD12 ' A' ' 38' ' ' LEU . 13.0 m -122.38 139.77 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.59999999999999998 109.31 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.445 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.5 tmm? -93.95 96.68 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 2.2599999999999998 110.99 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' THR . 10.0 t -116.66 79.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.92000000000000004 110.407 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 2.04 109.258 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.503 0.192 . . . . 2.8799999999999999 111.038 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.72 149.4 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.82999999999999996 109.245 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 6.0 p -102.22 155.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.1100000000000001 109.335 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -87.91 84.36 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 3.2400000000000002 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -128.27 173.99 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.65000000000000002 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.63 149.66 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.84999999999999998 109.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -101.58 126.84 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 2.4700000000000002 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -132.27 136.88 47.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 1.3100000000000001 109.993 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.98999999999999999 110.998 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.3 -0.63 . . . . 2.1400000000000001 109.3 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -91.28 131.6 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0800000000000001 110.34 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.88 135.71 43.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.1599999999999999 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' SER . 2.7 m -134.24 123.69 44.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 2.04 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.68 120.4 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.46000000000000002 109.319 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.38 105.06 33.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.55000000000000004 110.38 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -75.05 134.89 18.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.47999999999999998 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.19 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.68000000000000005 109.264 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 150.01 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.76000000000000001 110.041 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.79 17.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.75 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 28.9 mt -81.56 116.33 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.59999999999999998 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -93.8 172.89 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.63 110.427 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.32 175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.82999999999999996 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.71 -153.17 17.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.68999999999999995 111.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m -134.77 134.19 40.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.81999999999999995 110.35 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.639 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.3 m-85 -132.9 167.14 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.9299999999999999 110.961 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 116.78 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.7200000000000002 109.318 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.084 HG22 HD13 ' A' ' 38' ' ' LEU . 24.3 t -90.98 104.19 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.58999999999999997 109.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.0 115.65 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.0699999999999998 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.5 p-90 -112.8 154.94 25.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.46000000000000002 108.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.486 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.8 mtm105 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 3.3199999999999998 110.244 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.315 -0.624 . . . . 2.6800000000000002 109.315 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 84' ' ' ARG . 40.2 p -115.54 140.69 48.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.81000000000000005 110.413 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -149.33 162.24 28.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.56000000000000005 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.42 143.88 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 109.984 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.778 HG11 ' HG2' ' A' ' 9' ' ' PRO . 24.2 t -130.58 97.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.40000000000000002 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.6 t -84.56 139.41 32.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.65000000000000002 110.402 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.0 p90 -152.61 149.26 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.8 110.94 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -99.78 166.69 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -145.65 116.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.69999999999999996 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.8399999999999999 109.246 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.23 -0.655 . . . . 1.0600000000000001 109.23 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -57.02 -78.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.70999999999999996 109.251 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -146.17 151.93 38.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.71999999999999997 110.02 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.938 ' HB2' HD23 ' A' ' 23' ' ' LEU . 22.3 p -157.37 164.31 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.44 110.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.487 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.9 m -135.47 60.08 35.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.59999999999999998 110.419 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.711 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.40999999999999998 111.01 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 179.03 43.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.38 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.98 109.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.2400000000000002 110.299 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.68 38.37 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.79000000000000004 111.045 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.619 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.86 96.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 1.1899999999999999 109.908 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -102.66 125.16 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.8100000000000001 110.298 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.36 -45.97 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.95999999999999996 110.974 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.03 162.22 15.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 1.96 109.319 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -87.59 140.79 31.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 1.8400000000000001 109.351 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.782 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 150.2 38.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.48 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -43.93 91.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.90000000000000002 109.292 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.88 147.78 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.1699999999999999 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -86.31 140.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.40999999999999998 109.307 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 mt-10 -110.4 146.98 34.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.95 110.328 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.86 144.69 28.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.45000000000000001 109.359 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.0 m-70 -136.41 155.74 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.60999999999999999 109.584 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 52.8 m-85 -154.84 103.48 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.0499999999999998 111.074 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.55 110.025 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.983 -0.847 . . . . 1.28 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.27 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.70999999999999996 109.26 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -155.18 128.67 8.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 2.54 109.294 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.052 HD13 HG22 ' A' ' 81' ' ' VAL . 7.0 tp -96.52 131.91 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.68000000000000005 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.665 ' N ' HD12 ' A' ' 38' ' ' LEU . 7.7 m -127.54 134.24 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.81000000000000005 109.279 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -87.54 90.68 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 1.8400000000000001 110.959 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.66 60.0 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.01 110.357 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 2.75 109.241 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.477 0.179 . . . . 2.2400000000000002 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.93 145.59 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.1899999999999999 109.282 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.78 136.12 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.1299999999999999 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -61.94 96.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 3.5099999999999998 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.99 174.84 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.56999999999999995 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.66 139.5 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.65000000000000002 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.642 HG22 HG13 ' A' ' 68' ' ' ILE . 84.8 t -97.31 124.6 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -139.66 133.12 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.96999999999999997 109.974 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 110.993 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.3 pttt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 2.5499999999999998 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.7 m -113.06 123.41 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.76000000000000001 110.396 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 mpp? -106.88 150.89 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 1.1200000000000001 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -144.7 114.94 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 1.5800000000000001 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.53 118.73 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.55000000000000004 109.342 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -119.01 111.11 37.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.87 110.419 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 134.92 18.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.79000000000000004 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.6 -25.96 62.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 157.01 47.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.1699999999999999 110.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 130.63 13.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.77000000000000002 110.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.5 mt -76.56 116.13 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.63 109.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 p -85.18 170.83 12.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.72999999999999998 110.367 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.545 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.6 178.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.76000000000000001 109.351 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.99 -147.38 16.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.52000000000000002 111.081 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.6 m -133.34 140.28 47.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.83999999999999997 110.39 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -139.97 160.83 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 2.0299999999999998 110.985 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 115.64 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 2.9199999999999999 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.052 HG22 HD13 ' A' ' 38' ' ' LEU . 43.9 t -94.98 106.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.64000000000000001 109.335 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 123.35 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.8899999999999999 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CH2' ' HA3' ' A' ' 95' ' ' GLY . 21.2 p-90 -120.41 157.71 28.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.65000000000000002 108.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.455 ' HG2' HG22 ' A' ' 94' ' ' THR . 13.0 mtp180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 4.9100000000000001 110.287 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 mm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.336 -0.616 . . . . 2.5299999999999998 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 84' ' ' ARG . 70.8 p -91.99 154.04 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.89000000000000001 110.407 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -174.22 156.07 22.71 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.82 158.67 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 1.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.711 HG11 ' HG2' ' A' ' 9' ' ' PRO . 71.9 t -135.4 101.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.64000000000000001 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -86.82 143.13 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.77000000000000002 110.366 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.0 p90 -152.93 158.16 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.73 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -109.61 164.86 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 3.7599999999999998 109.32 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 17' ' ' ALA . 68.1 t -142.65 122.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.5 109.31 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.5899999999999999 109.275 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.314 -0.624 . . . . 0.92000000000000004 109.314 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.783 HG21 ' H ' ' A' ' 26' ' ' SER . 99.2 t -57.76 -81.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.66000000000000003 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.561 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -141.22 145.49 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.62 110.047 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 51.5 p -156.21 163.43 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.37 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -138.84 59.54 16.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.75 110.359 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.764 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.09 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.42999999999999999 110.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.29 44.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.42999999999999999 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.43 105.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.0699999999999998 110.237 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.39 35.73 2.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.78000000000000003 111.031 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.55 98.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.77 . . . . 1.29 110.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.52 119.93 40.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.8700000000000001 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.19 -55.32 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.87 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.07 173.37 5.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 1.6699999999999999 109.315 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -68.63 128.57 92.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.3999999999999999 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.8 36.43 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.397 1.735 . . . . 1.1299999999999999 110.964 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 -64.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.01 109.312 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -153.82 156.32 37.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 2.5299999999999998 109.33 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.02 140.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.41999999999999998 109.275 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -116.87 147.68 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 2.29 110.347 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.5 mt -147.5 145.31 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.42999999999999999 109.287 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.586 ' O ' HD23 ' A' ' 4' ' ' LEU . 58.5 m-70 -139.52 156.94 46.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.67000000000000004 109.569 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 93.3 m-85 -154.57 115.09 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 2.3999999999999999 111.017 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.783 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.5 110.023 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 0.89000000000000001 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.44 160.22 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.62 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.64 126.32 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 3.3700000000000001 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 81' ' ' VAL . 15.5 tp -93.47 141.43 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.79000000000000004 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.741 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.7 m -135.88 137.11 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.60999999999999999 109.247 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -90.85 96.96 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.9299999999999999 110.957 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -108.12 59.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.82999999999999996 110.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 2.0 109.259 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.44 0.162 . . . . 2.4399999999999999 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.55 148.18 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.78000000000000003 109.258 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -110.16 169.42 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.80000000000000004 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.6 mttt -94.73 113.78 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 3.29 109.305 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -146.95 172.99 12.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.57999999999999996 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.17 143.87 40.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.279 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HG13 ' A' ' 68' ' ' ILE . 12.5 m -107.71 125.8 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 1.8100000000000001 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 4.0 m -134.96 148.73 50.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.96999999999999997 111.036 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 pttt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.26 -0.644 . . . . 2.0499999999999998 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -90.16 130.3 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.421 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -127.39 148.83 50.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.3999999999999999 111.05 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -151.15 120.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 2.1099999999999999 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.932 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -91.46 127.29 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.5 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.625 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.07 99.21 13.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.81999999999999995 110.356 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.08 18.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.67000000000000004 111.011 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.71 66.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 1.24 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.33 137.83 22.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.87 109.931 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.01 13.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.89000000000000001 110.993 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 24.0 mt -74.9 117.62 16.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.78000000000000003 109.289 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.1 p -84.44 168.57 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.68000000000000005 110.41 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.752 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.72 156.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.69999999999999996 109.231 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.28 -154.19 20.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.53000000000000003 110.996 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.4 m -130.99 135.97 48.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.724 . . . . 0.67000000000000004 110.334 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.8 m-85 -141.03 163.2 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 2.1499999999999999 111.029 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 47.3 pttt -136.36 119.6 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 3.3599999999999999 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 38' ' ' LEU . 29.7 t -90.68 105.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 109.346 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.58 111.16 22.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.6200000000000001 109.336 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.1 p-90 -109.12 158.69 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.53000000000000003 108.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 3.5800000000000001 110.287 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.327 -0.62 . . . . 2.6099999999999999 109.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.9 p -85.73 140.21 30.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.79000000000000004 110.4 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.01 162.0 29.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.47999999999999998 110.955 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -150.38 144.48 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.93999999999999995 110.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.764 HG21 ' HG2' ' A' ' 9' ' ' PRO . 41.2 t -128.12 106.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.135 . . . . 0.45000000000000001 109.366 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 t -87.45 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.55000000000000004 110.403 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.82 152.05 32.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.8200000000000001 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -104.0 165.57 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 2.29 109.336 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 76' ' ' ALA . 77.6 t -144.2 114.18 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.47999999999999998 109.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 3.1200000000000001 109.262 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 83' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.3 -0.63 . . . . 1.5700000000000001 109.3 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 11.7 t -55.36 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.82999999999999996 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 153.26 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.66000000000000003 109.973 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.971 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.3 p -156.57 168.33 27.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.41999999999999998 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.534 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 25.9 m -141.91 57.81 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.54000000000000004 110.387 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.76 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -58.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.56000000000000005 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.5 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.41999999999999998 109.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -43.95 106.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 2.4700000000000002 110.311 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.63 38.51 1.54 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.72999999999999998 111.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.2 94.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.014 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.46 128.14 54.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.9299999999999999 110.268 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.43 -43.34 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.1299999999999999 110.953 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.7 161.56 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 1.8300000000000001 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.06 139.23 49.29 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.51 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 1.5700000000000001 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 -53.32 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.68999999999999995 109.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -154.69 157.84 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 2.9900000000000002 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.9 138.92 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.55000000000000004 109.271 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -113.23 149.09 34.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 1.6000000000000001 110.28 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.971 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.8 mt -148.43 143.71 26.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.45000000000000001 109.385 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -136.09 149.26 48.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.59999999999999998 109.601 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' HD23 ' A' ' 4' ' ' LEU . 8.1 m-85 -154.93 121.54 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 2.5099999999999998 111.017 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.49 109.947 -179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.981 -0.848 . . . . 1.3400000000000001 110.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.29 173.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 1.1399999999999999 109.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -155.23 131.6 10.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 2.7999999999999998 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -96.39 138.48 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.729 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.0 m -136.01 142.7 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.72999999999999998 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -91.96 96.46 10.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.74 110.988 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' THR . 9.3 t -117.98 59.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.88 110.441 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.387 1.054 . . . . 1.8999999999999999 109.305 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.583 0.23 . . . . 2.7599999999999998 110.957 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.31 140.76 58.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.083 . . . . 0.97999999999999998 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.5 138.48 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 1.1799999999999999 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.16 100.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 4.1399999999999997 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.97 172.69 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 109.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.88 149.37 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.68000000000000005 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 HG13 ' A' ' 68' ' ' ILE . 3.0 m -104.54 130.85 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.8400000000000001 109.235 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -144.56 133.02 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.22 110.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.84999999999999998 110.945 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.289 -0.634 . . . . 1.8500000000000001 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -107.21 124.92 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.89000000000000001 110.395 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.18 147.19 27.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.3799999999999999 111.074 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 59.8 t -141.86 114.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 1.78 109.38 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.682 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -92.48 122.77 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.58999999999999997 109.32 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.25 111.13 23.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.65000000000000002 110.392 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.63 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.43 -25.27 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.77000000000000002 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.78 150.3 38.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.88 109.951 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 130.98 13.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.83999999999999997 111.041 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.3 mt -76.63 115.36 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.612 1.195 . . . . 0.81000000000000005 109.355 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -99.07 169.43 9.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.1599999999999999 110.395 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.756 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.04 157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.79000000000000004 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.21 -147.81 18.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.59999999999999998 111.007 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.44 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 2.2 m -154.23 134.1 13.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 110.395 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -136.27 175.07 9.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 1.95 110.965 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.54 113.96 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 2.4100000000000001 109.352 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 38' ' ' LEU . 38.8 t -85.12 107.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.63 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.38 117.85 30.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 2.0499999999999998 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 54.3 p-90 -112.34 154.55 25.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.81999999999999995 107.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 3.5299999999999998 110.286 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.634 . . . . 2.3999999999999999 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -121.13 150.53 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 1.02 110.393 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.568 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -159.2 160.11 30.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.67000000000000004 111.038 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.04 142.37 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.0900000000000001 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.76 HG11 ' HG2' ' A' ' 9' ' ' PRO . 84.9 t -128.2 103.31 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.68000000000000005 109.362 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -85.24 145.19 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.63 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -155.31 147.43 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.9199999999999999 110.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -102.94 167.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.4300000000000002 109.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.756 HG12 ' HA ' ' A' ' 76' ' ' ALA . 96.4 t -143.34 121.65 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.63 109.308 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 2.4700000000000002 109.288 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.618 . . . . 1.25 109.33 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.637 HG21 ' H ' ' A' ' 26' ' ' SER . 6.2 t -51.8 -76.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.3999999999999999 109.313 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.598 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -153.33 150.99 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.91000000000000003 109.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.5 p -156.85 166.52 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.58999999999999997 109.986 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 m -137.09 58.34 17.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.81000000000000005 110.411 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.91 -74.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.37 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.35 43.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.47999999999999998 109.331 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -41.58 107.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 2.2599999999999998 110.272 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.28 34.17 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.525 1.141 . . . . 0.76000000000000001 110.999 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.97 100.33 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 1.24 110.014 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -105.45 118.7 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.99 110.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.53 -50.13 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.94 173.76 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 0.808 . . . . 1.9099999999999999 109.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -81.15 134.43 52.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.55 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 163.87 34.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 1.23 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.41 -51.58 35.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.81000000000000005 109.294 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 149.02 25.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 2.9100000000000001 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.83 142.22 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.40999999999999998 109.349 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -114.66 149.22 37.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 2.48 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -148.32 145.3 28.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.63 109.36 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.591 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.8 m-70 -138.62 150.36 46.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.82999999999999996 109.557 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 80.7 m-85 -154.93 123.06 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 2.9300000000000002 110.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.637 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 2.4500000000000002 110.02 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.96 -0.856 . . . . 1.3200000000000001 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 68' ' ' ILE . . . -153.87 149.56 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 1.1200000000000001 109.335 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -154.41 111.5 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 3.1699999999999999 109.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -92.38 138.89 31.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.78000000000000003 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.739 ' H ' HD12 ' A' ' 38' ' ' LEU . 30.2 m -134.51 141.37 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.82999999999999996 109.251 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.3 96.48 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.3599999999999999 111.036 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -112.17 60.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.05 110.391 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.2400000000000002 109.318 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.1 mtp . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.557 0.218 . . . . 4.0599999999999996 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.73 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -87.53 152.53 22.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.01 109.273 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.66 162.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -87.3 105.1 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.7400000000000002 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -139.25 169.22 18.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.65000000000000002 109.276 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.02 138.48 43.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.63 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -102.19 123.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 2.02 109.288 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -123.06 175.34 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.0800000000000001 109.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 1.04 111.043 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 pttt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.302 -0.629 . . . . 2.4700000000000002 109.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -90.87 134.61 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.21 110.382 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.81 151.08 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.6000000000000001 111.019 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -151.81 124.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.8100000000000001 109.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -94.08 120.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.55000000000000004 109.35 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.646 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.8 95.54 39.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.68999999999999995 110.45 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.98 135.8 19.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.67000000000000004 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.02 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.80000000000000004 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.39 138.17 22.5 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.1599999999999999 110.051 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.84 12.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.529 1.805 . . . . 0.92000000000000004 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 23.4 mt -76.15 116.25 16.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0700000000000001 109.373 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -86.29 168.13 14.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0600000000000001 110.451 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.73 165.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.01 109.268 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.14 -148.49 17.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.92000000000000004 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.1 m -137.15 131.52 32.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 0.716 . . . . 1.2 110.416 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.0 m-85 -134.58 171.43 14.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 2.0499999999999998 110.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 120.5 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 2.4700000000000002 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 38' ' ' LEU . 34.5 t -95.92 119.04 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.57999999999999996 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -101.63 117.58 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 2.2999999999999998 109.302 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.0 p-90 -110.98 157.01 20.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.98999999999999999 107.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 3.29 110.294 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.326 -0.62 . . . . 3.2000000000000002 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 p -118.43 148.11 42.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.1000000000000001 110.398 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.23 154.77 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.397 1.061 . . . . 0.91000000000000003 111.054 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.85 152.91 48.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 1.02 109.964 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 t -141.13 105.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.52000000000000002 109.287 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 t -88.08 138.88 31.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.68999999999999995 110.416 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -148.62 153.52 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.8999999999999999 110.969 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.56 166.3 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 2.8199999999999998 109.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.9 t -143.8 116.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.76000000000000001 109.343 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 2.6200000000000001 109.313 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.238 -0.653 . . . . 1.01 109.238 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.739 HG21 ' H ' ' A' ' 26' ' ' SER . 92.8 t -59.32 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.79000000000000004 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -142.71 148.12 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.60999999999999999 109.998 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.823 ' CB ' HD23 ' A' ' 23' ' ' LEU . 37.4 p -157.22 163.76 38.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.5 110.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.491 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 23.6 m -136.88 59.9 26.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.81999999999999995 110.369 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 -78.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.53000000000000003 111.024 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 44.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.58999999999999997 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.12 108.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.8700000000000001 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.18 36.96 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 1.1200000000000001 111.029 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.66 98.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 1.3300000000000001 109.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.06 121.61 43.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.48 110.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.45 -56.5 0.31 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.112 . . . . 1.1200000000000001 111.009 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.45 173.57 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 1.8100000000000001 109.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 130.7 85.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.4299999999999999 109.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 161.19 39.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.818 . . . . 1.1699999999999999 110.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.76 -59.99 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.90000000000000002 109.278 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -155.31 150.47 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 3.6000000000000001 109.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.598 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.77 139.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.75 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.1 tt0 -113.68 147.17 38.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.5 110.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 7' ' ' SER . 9.6 mt -146.99 141.65 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.63 109.245 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -133.43 157.24 46.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.59999999999999998 109.567 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 6.4 m-85 -155.44 120.53 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 2.46 111.016 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.739 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 1.49 109.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.92000000000000004 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.661 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.16 160.61 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.91000000000000003 109.272 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 129.37 8.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 2.8700000000000001 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.87 HD13 HG23 ' A' ' 81' ' ' VAL . 15.8 tp -89.88 138.06 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.83999999999999997 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.597 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.8 m -136.59 134.36 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.02 109.337 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.553 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.6 tmm? -86.14 92.4 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 2.7599999999999998 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.607 HG21 ' NZ ' ' A' ' 80' ' ' LYS . 8.7 t -117.99 59.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.5900000000000001 110.38 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 2.6099999999999999 109.298 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.489 0.185 . . . . 2.46 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.82 48.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.24 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -118.56 148.91 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.1799999999999999 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.97 105.05 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.2300000000000004 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.63 174.14 10.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0900000000000001 109.296 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.94 139.16 45.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.26 109.247 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.67 123.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 2.4700000000000002 109.342 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.924 ' HB2' HG23 ' A' ' 67' ' ' VAL . 23.5 m -111.25 173.02 6.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 1.8999999999999999 109.979 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 1.3200000000000001 110.984 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.34 -0.615 . . . . 1.97 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 m -90.96 126.98 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.87 110.355 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -125.3 149.36 48.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 1.3799999999999999 110.968 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.924 HG23 ' HB2' ' A' ' 58' ' ' SER . 0.1 OUTLIER -142.33 113.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.99 109.285 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -84.68 120.56 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.65000000000000002 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.72 101.92 12.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.82999999999999996 110.385 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.9 136.29 20.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.68999999999999995 110.986 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.79 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.29 109.269 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.07 144.13 27.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.24 109.957 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.48 10.76 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 1.1899999999999999 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.7 mt -68.55 116.02 8.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.79000000000000004 109.242 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -86.2 174.26 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.481 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.699 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.84 164.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0800000000000001 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.82 -151.84 17.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.94999999999999996 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.507 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 m -146.46 132.26 19.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.89000000000000001 110.387 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -136.2 170.4 16.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 2.3700000000000001 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.607 ' NZ ' HG21 ' A' ' 41' ' ' THR . 2.1 pttt -139.72 120.59 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 4.2400000000000002 109.283 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.87 HG23 HD13 ' A' ' 38' ' ' LEU . 3.4 t -86.57 109.63 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0700000000000001 109.35 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.53 122.07 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.6499999999999999 109.268 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.1 p-90 -118.61 158.02 26.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.69999999999999996 107.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.4 mtt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 3.02 110.284 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.489 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 2.7 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.303 -0.628 . . . . 2.8599999999999999 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 84' ' ' ARG . 71.0 p -85.32 142.66 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.90000000000000002 110.377 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.565 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -167.35 149.91 15.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.68999999999999995 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -135.91 152.49 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 0.812 . . . . 1.5900000000000001 110.006 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.724 HG11 ' HG2' ' A' ' 9' ' ' PRO . 16.5 t -122.85 112.08 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.66000000000000003 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 t -89.82 136.76 32.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.81000000000000005 110.363 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.9 p90 -147.76 154.62 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 1.8 111.027 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' CD ' ' OG1' ' A' ' 78' ' ' THR . 10.1 mttt -105.99 166.08 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.9500000000000002 109.242 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 76' ' ' ALA . 56.7 t -147.8 113.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.93999999999999995 109.302 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 3.0099999999999998 109.31 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.53 ' CB ' ' CH2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.322 -0.621 . . . . 1.53 109.322 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 ' H ' ' A' ' 26' ' ' SER . 55.2 t -51.57 -69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.67000000000000004 109.295 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -153.77 156.07 37.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.93999999999999995 110.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.892 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.6 p -156.72 169.04 25.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.48999999999999999 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -137.51 57.09 13.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.98999999999999999 110.393 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.973 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -74.97 -67.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.51000000000000001 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.72 44.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.53000000000000003 109.252 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.54 104.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 110.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.79 35.04 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.575 1.172 . . . . 0.92000000000000004 111.07 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.45 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.62 100.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 1.5600000000000001 109.993 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -111.26 117.31 32.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.8300000000000001 110.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.59 -39.66 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.91000000000000003 111.061 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.36 161.79 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 1.78 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -80.01 137.98 53.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.6799999999999999 109.308 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 135.68 19.55 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 1.5800000000000001 111.027 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.81 -47.98 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0900000000000001 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.84 156.46 40.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 3.0699999999999998 109.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -93.04 145.08 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.5 109.218 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' OE2' ' NE2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -112.91 151.69 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 2.8399999999999999 110.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -147.32 144.2 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.427 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 59.7 m-70 -133.89 157.48 45.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.1200000000000001 109.58 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.41 ' CE1' HD23 ' A' ' 4' ' ' LEU . 36.1 m-85 -155.46 104.86 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 2.25 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.518 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 2.0899999999999999 109.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.88 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.36 174.87 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.1699999999999999 109.341 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mtpt -155.87 132.18 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 3.8300000000000001 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 39' ' ' VAL . 9.3 tp -99.8 140.93 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 1.0700000000000001 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -136.0 132.53 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 1.1299999999999999 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.562 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.47 97.37 10.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 2.0499999999999998 110.973 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 41' ' ' THR . 11.5 t -102.67 59.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 1.3999999999999999 110.398 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.281 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 8.7 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.522 0.201 . . . . 3.54 111.027 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.71 140.6 29.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.27 109.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.48 HG11 HD23 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.6 158.2 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.3600000000000001 109.27 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -91.09 128.88 37.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 6.4199999999999999 109.276 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -152.82 173.83 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 1.04 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.84 148.17 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.77000000000000002 109.326 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.753 HG12 HG13 ' A' ' 68' ' ' ILE . 12.6 m -113.51 121.14 65.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 1.8 109.332 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -119.9 175.37 5.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.22 110.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 1.1699999999999999 110.922 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.293 -0.632 . . . . 3.1400000000000001 109.293 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -107.24 124.28 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.92000000000000004 110.375 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.526 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.47 155.99 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.27 110.993 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.36 122.7 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 1.79 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.819 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -93.1 124.89 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.56000000000000005 109.26 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -127.96 101.22 23.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.69999999999999996 110.381 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.08 135.16 18.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.84999999999999998 110.967 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.56 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0600000000000001 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -76.75 144.51 73.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 1.8799999999999999 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.563 1.823 . . . . 1.72 110.978 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.35 116.59 22.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.76000000000000001 109.31 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.7 p -100.75 167.96 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.59999999999999998 110.401 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.13 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.62 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.88 -152.32 16.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.398 1.061 . . . . 0.52000000000000002 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.487 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.3 m -135.46 134.82 39.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 0.783 . . . . 0.72999999999999998 110.359 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -138.77 158.69 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.8600000000000001 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' A' ' 96' ' ' SER . 1.6 tttp -134.3 111.61 10.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.6299999999999999 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.573 ' CG2' HD13 ' A' ' 38' ' ' LEU . 29.5 t -85.69 111.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.76000000000000001 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.58 117.26 33.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.3999999999999999 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.8 p-90 -104.7 141.03 37.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.76000000000000001 108.04 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 94' ' ' THR . 2.4 mpt_? . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 3.54 110.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 93' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.242 -0.651 . . . . 3.7599999999999998 109.242 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 84' ' ' ARG . 77.0 p -115.38 167.63 10.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 1.21 110.411 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.3 174.44 29.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.82999999999999996 111.027 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.45 ' CB ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -146.18 144.72 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 0.711 . . . . 1.3999999999999999 109.994 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.973 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -133.44 101.32 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.57999999999999996 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 t -84.75 142.07 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.84999999999999998 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 26.5 p90 -158.17 146.55 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 1.75 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -97.18 171.09 8.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 2.54 109.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 76' ' ' ALA . 32.0 t -142.51 124.95 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.68000000000000005 109.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.3500000000000001 109.292 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.1 tm? . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.3 -0.63 . . . . 1.51 109.3 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 26' ' ' SER . 53.6 t -55.52 -66.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.93999999999999995 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -155.81 150.67 26.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 1.01 109.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.917 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.4 p -156.96 166.01 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.69999999999999996 109.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 8' ' ' THR . 7.3 m -137.64 59.33 19.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.1200000000000001 110.457 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.833 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.05 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.72999999999999998 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 47.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.57999999999999996 109.248 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -42.54 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.3700000000000001 110.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.53 34.32 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 1.01 110.961 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.627 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 m -69.71 98.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 1.1599999999999999 110.026 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 28.7 mt-10 -109.04 122.51 47.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 1.8899999999999999 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.85 -46.4 0.62 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 1.1100000000000001 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.56 162.32 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 1.7 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.52 137.32 36.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 1.4399999999999999 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.458 1.767 . . . . 1.3899999999999999 111.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.92 -50.28 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.276 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 157.63 37.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 3.48 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.75 139.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.48999999999999999 109.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.6 mt-10 -109.29 147.7 32.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 2.75 110.296 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.917 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.4 mt -147.55 141.05 25.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -133.45 150.93 51.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0900000000000001 109.607 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 14.1 m-85 -155.53 128.04 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 2.2999999999999998 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.444 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 1.6200000000000001 110.031 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.013 -0.835 . . . . 1.55 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -154.97 172.95 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 1.1399999999999999 109.369 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -155.48 128.62 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 3.9700000000000002 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 ' H ' ' A' ' 39' ' ' VAL . 7.3 tp -90.23 141.89 28.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.75 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.767 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.9 m -138.51 133.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.81000000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.8 ttm -91.72 97.9 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 2.79 111.032 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 41' ' ' THR . 9.8 t -113.83 59.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.93000000000000005 110.411 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.685 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 3.0800000000000001 109.286 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.3 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.19 . . . . 2.21 110.998 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 138.91 45.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.93999999999999995 109.256 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.45 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.4 p -106.09 168.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.83999999999999997 109.339 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.5 mttp -91.83 93.34 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 4.2800000000000002 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.89 175.32 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.59999999999999998 109.332 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.31 154.62 46.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.67000000000000004 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.9 127.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.8899999999999999 109.272 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -140.56 130.96 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.26 110.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.541 1.15 . . . . 1.1899999999999999 111.009 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 pttt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.301 -0.629 . . . . 2.6600000000000001 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -100.16 129.25 46.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.25 110.423 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.514 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.83 154.27 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.46 111.037 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -146.15 119.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.75 109.28 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -93.18 122.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.46999999999999997 109.368 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.31 110.07 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.55000000000000004 110.415 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.94 135.46 19.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.62 111.077 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.86 -20.7 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.88 109.349 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 152.58 42.23 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.1 . . . . 0.85999999999999999 109.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.61 16.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.90000000000000002 110.972 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.9 116.16 22.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.93000000000000005 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 p -101.83 166.44 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0600000000000001 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.757 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.64 154.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.95999999999999996 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.93 -155.55 22.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.985 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.685 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.6 m -141.33 130.08 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.91000000000000003 110.456 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.62 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.7 m-85 -134.27 175.11 9.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.394 1.059 . . . . 1.75 110.952 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.24 115.62 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 2.52 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.41 HG22 HD13 ' A' ' 38' ' ' LEU . 52.6 t -85.16 106.67 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.65000000000000002 109.362 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -93.95 110.08 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 2.3700000000000001 109.228 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 50.2 p-90 -105.76 154.22 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.045 -1.095 . . . . 0.83999999999999997 108.045 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 3.5800000000000001 110.363 -179.896 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 93' ' ' ILE . 5.8 mm . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.337 -0.616 . . . . 4.1299999999999999 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 p -118.81 168.83 10.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 1.1399999999999999 110.439 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -168.89 160.58 34.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.421 1.075 . . . . 0.76000000000000001 111.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.77 140.77 22.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 1.1499999999999999 110.018 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.833 HG11 ' HG2' ' A' ' 9' ' ' PRO . 20.2 t -128.12 103.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.57999999999999996 109.351 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -84.45 141.43 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.71999999999999997 110.379 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -152.83 149.02 27.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.9099999999999999 111.044 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.4 mtpt -104.19 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 2.9199999999999999 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 76' ' ' ALA . 73.0 t -144.29 122.09 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.60999999999999999 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 2.4700000000000002 109.302 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.281 -0.637 . . . . 0.95999999999999996 109.281 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.748 HG21 ' H ' ' A' ' 26' ' ' SER . 65.1 t -58.95 -80.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.78000000000000003 109.318 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.33 149.9 38.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.81000000000000005 110.012 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.916 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.3 p -156.24 165.08 37.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.52000000000000002 110.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.518 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m -137.87 58.58 16.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.1299999999999999 110.374 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.799 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.91 -63.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.53000000000000003 111.083 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 167.65 46.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.68000000000000005 109.3 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.7 OUTLIER -44.72 110.99 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 3.23 110.294 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 35.24 3.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 111.001 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.737 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -69.69 93.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 1.3799999999999999 110.031 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.39 122.84 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 2.1000000000000001 110.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.92 -47.16 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.93000000000000005 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.03 166.4 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 1.74 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.93 137.72 79.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.3700000000000001 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.92 29.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 1.3600000000000001 110.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -53.46 55.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.70999999999999996 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.32 146.7 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 3.3199999999999998 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.3 143.2 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.46000000000000002 109.318 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.3 tt0 -117.33 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 1.5900000000000001 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.5 mt -147.47 145.08 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 109.361 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.473 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.9 m-70 -137.23 158.84 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.55 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 29.8 m-85 -155.0 108.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.21 110.999 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.748 ' H ' HG21 ' A' ' 5' ' ' VAL . 42.5 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.8400000000000001 110.003 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 111.05 -0.82 . . . . 1.02 111.05 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.99 153.43 51.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.64000000000000001 109.314 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -151.71 124.18 8.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 3.5600000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.985 HD13 HG22 ' A' ' 81' ' ' VAL . 10.9 tp -96.42 129.52 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.93999999999999995 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -124.79 136.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.68000000000000005 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.0 ttm -86.64 96.38 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 2.2200000000000002 110.929 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 t -103.83 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 1.0700000000000001 110.461 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.314 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 2.2999999999999998 110.986 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 148.78 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.1799999999999999 109.242 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.53 123.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.3200000000000001 109.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -56.44 104.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 3.6000000000000001 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -135.27 169.62 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.63 109.236 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.41 143.24 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.70999999999999996 109.29 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -99.09 127.24 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 2.02 109.339 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -140.95 135.36 31.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0600000000000001 109.976 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 1.1599999999999999 110.943 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 pttm . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.236 -0.653 . . . . 2.77 109.236 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.456 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.1 m -108.79 120.87 43.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.64000000000000001 110.405 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.469 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.52 159.85 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.49 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -149.87 120.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.8200000000000001 109.271 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.31 120.0 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.53000000000000003 109.218 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.87 110.79 33.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.545 1.153 . . . . 0.62 110.387 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.32 18.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.51000000000000001 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.69 -23.61 61.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.88 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.4 148.35 38.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.79000000000000004 109.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 128.54 11.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.72999999999999998 110.946 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.779 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.5 mt -77.18 115.57 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.70999999999999996 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -90.72 173.59 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.84999999999999998 110.408 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -46.91 163.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.76000000000000001 109.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -154.58 16.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.68000000000000005 110.938 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.585 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.6 m -127.91 143.49 51.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.75 110.404 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.798 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -143.52 156.73 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 2.0299999999999998 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.79 117.37 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.0699999999999998 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.985 HG22 HD13 ' A' ' 38' ' ' LEU . 52.1 t -97.24 101.07 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.56000000000000005 109.275 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -88.19 126.64 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.6899999999999999 109.253 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.51 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 20.5 p-90 -123.9 157.37 34.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.48999999999999999 108.064 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 4.1 mtm105 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 3.96 110.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.336 -0.616 . . . . 2.9199999999999999 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.8 p -88.55 152.67 21.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 1.23 110.397 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -177.25 160.09 26.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.58999999999999997 111.026 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.5 156.3 41.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.804 . . . . 0.79000000000000004 109.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' HG2' ' A' ' 9' ' ' PRO . 57.4 t -131.68 102.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.66000000000000003 109.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.473 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.9 t -85.81 142.26 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.56000000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -152.16 153.77 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 1.79 110.98 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -107.78 161.68 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 2.5800000000000001 109.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.731 HG13 ' N ' ' A' ' 17' ' ' ALA . 47.8 t -135.23 121.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 2.75 109.296 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.34 -0.615 . . . . 0.87 109.34 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.668 HG21 ' H ' ' A' ' 26' ' ' SER . 92.5 t -57.69 -83.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.75 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -134.45 149.55 50.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.448 1.093 . . . . 0.54000000000000004 109.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.9 p -157.34 165.45 35.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.40999999999999998 109.96 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.509 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.8 m -138.22 59.21 17.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.52000000000000002 110.384 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.809 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.07 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.42999999999999999 110.96 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . -177.5 44.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.271 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.51 107.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 3.6299999999999999 110.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.94 36.16 1.79 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.427 1.079 . . . . 0.87 111.012 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.657 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.52 96.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 1.23 110.017 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.64 124.88 52.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 2.2400000000000002 110.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.52 -43.01 1.04 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.448 1.093 . . . . 1.0600000000000001 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.14 161.59 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 1.8 109.351 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -83.76 136.25 42.11 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 1.47 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.99 152.55 40.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 1.24 111.025 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.13 25.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -155.2 153.35 30.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 2.6299999999999999 109.258 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -85.15 142.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.45000000000000001 109.262 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -117.21 150.62 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.74 110.257 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.59 143.55 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.48999999999999999 109.266 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -133.45 156.02 48.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.68999999999999995 109.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 5.7 m-85 -153.53 118.79 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 2.5699999999999998 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.668 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.54 109.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.986 -0.846 . . . . 0.77000000000000002 110.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -150.69 162.04 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.60999999999999999 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -155.29 128.71 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.343 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 81' ' ' VAL . 9.6 tp -98.75 143.09 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.67000000000000004 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.845 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -136.2 138.09 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.91000000000000003 109.327 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.37 96.95 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.4300000000000002 111.019 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.4 t -111.06 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.22 110.369 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 2.0299999999999998 109.301 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.51 0.195 . . . . 2.8399999999999999 111.005 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.78 143.84 24.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.92000000000000004 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.2 p -111.72 150.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.93000000000000005 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 93.59 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 4.4100000000000001 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -135.02 174.4 10.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.75 109.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.66 138.53 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.63 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.92 130.43 45.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 1.9399999999999999 109.218 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 m -119.7 175.27 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.6599999999999999 109.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.168 . . . . 1.6799999999999999 110.971 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.349 -0.611 . . . . 2.3399999999999999 109.349 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -91.2 119.37 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.05 110.375 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.709 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.9 mpp? -113.16 152.76 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.49 110.946 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.36 109.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.8700000000000001 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -85.11 123.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.58999999999999997 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.559 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.65 105.94 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.56999999999999995 110.415 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.39 19.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.52000000000000002 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.55 87.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.03 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.4 150.02 38.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.1699999999999999 109.968 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 128.12 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 1.0800000000000001 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.3 mt -70.47 116.83 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -88.89 174.3 8.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.84999999999999998 110.416 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.8 178.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.84999999999999998 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.05 -147.71 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.80000000000000004 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.727 HG23 ' HG2' ' A' ' 100' ' ' LYS . 97.2 m -140.86 143.36 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.737 . . . . 1.1000000000000001 110.354 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.4 m-85 -144.98 161.79 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.8799999999999999 110.887 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -137.45 114.25 10.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 2.1600000000000001 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.947 HG22 HD13 ' A' ' 38' ' ' LEU . 40.0 t -85.48 152.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.6200000000000001 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -135.09 123.52 23.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.9299999999999999 109.371 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.584 ' HZ3' HG22 ' A' ' 93' ' ' ILE . 44.3 p-90 -117.37 157.42 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.57999999999999996 107.977 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HG2' HG22 ' A' ' 94' ' ' THR . 4.8 mpp_? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.584 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 35.1 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.255 -0.646 . . . . 2.5699999999999998 109.255 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.557 HG22 ' HG2' ' A' ' 84' ' ' ARG . 67.9 p -130.45 147.65 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.71999999999999997 110.466 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 159.75 32.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.58999999999999997 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -138.06 154.3 49.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.96999999999999997 109.969 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.809 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -131.66 111.0 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.68999999999999995 109.228 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -90.28 142.86 27.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.62 110.415 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.7 p90 -157.57 148.63 21.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.95 111.052 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.727 ' HG2' HG23 ' A' ' 78' ' ' THR . 6.7 mtmt -107.47 168.89 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 2.8100000000000001 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 16' ' ' ALA . 57.8 t -143.8 127.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.68000000000000005 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 2.52 109.326 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.299 -0.63 . . . . 0.82999999999999996 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 6' ' ' SER . 20.4 t -56.56 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.68000000000000005 109.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.554 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -143.63 149.88 37.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.5 110.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.933 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.8 p -157.56 166.32 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.35999999999999999 110.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m -136.74 58.19 18.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.79000000000000004 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.715 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.64000000000000001 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.42 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.70999999999999996 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -50.06 109.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 2.6400000000000001 110.297 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.34 56.28 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.3300000000000001 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.49 129.27 54.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 2.3500000000000001 109.959 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -101.39 137.19 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 4.21 110.358 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -156.39 -117.63 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 1.97 110.975 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.19 84.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 4.5199999999999996 109.303 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.574 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 65.51 90.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 2.9199999999999999 109.315 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -74.92 -172.09 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 2.2200000000000002 111.001 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.72 -71.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.82999999999999996 109.333 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 152.27 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 2.71 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -85.08 145.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.62 109.294 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.01 148.13 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.9300000000000002 110.252 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.6 mt -148.9 147.09 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.471 1.107 . . . . 0.47999999999999998 109.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 4' ' ' LEU . 50.6 m-70 -138.62 152.51 48.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.53000000000000003 109.606 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 74.0 m-85 -150.56 96.13 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 2.2200000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.0499999999999998 110.012 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.955 -0.858 . . . . 0.97999999999999998 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -153.75 164.03 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.68000000000000005 109.263 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 123.98 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 2.6299999999999999 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 74' ' ' LEU . 8.4 tp -86.98 140.49 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.256 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -139.23 132.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.51 1.131 . . . . 0.84999999999999998 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -84.76 94.35 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 3.3199999999999998 110.992 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 41' ' ' THR . 9.9 t -119.51 59.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.4199999999999999 110.373 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.6499999999999999 109.335 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.512 0.196 . . . . 2.29 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -47.51 142.19 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 1.25 109.269 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.8 p -108.04 167.4 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 1.02 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -86.35 81.9 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 3.9500000000000002 109.356 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -122.13 174.78 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.67000000000000004 109.281 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.11 143.0 26.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.80000000000000004 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG12 HG13 ' A' ' 68' ' ' ILE . 33.4 m -100.61 130.08 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.299 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -140.06 133.53 30.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.1899999999999999 110.022 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 1.0800000000000001 111.002 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.303 -0.629 . . . . 1.95 109.303 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -110.15 125.1 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.75 110.437 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.481 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.9 149.77 28.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.946 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 75.0 t -144.82 115.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 1.76 109.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.773 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.13 119.78 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.31 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.77 101.15 20.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.5 110.399 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 137.21 21.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.62 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.55 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.69999999999999996 109.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.85 142.47 25.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.611 1.194 . . . . 0.80000000000000004 110.002 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 134.95 18.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.761 . . . . 0.93000000000000005 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 38' ' ' LEU . 24.5 mt -66.95 116.13 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.1000000000000001 109.348 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ALA . 45.5 p -87.56 160.26 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 1.1100000000000001 110.404 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.57 140.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.1799999999999999 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.57 -154.66 22.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.75 111.004 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.551 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -135.8 143.06 45.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 0.92000000000000004 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 m-85 -143.35 175.22 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 2.1099999999999999 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 125.69 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 2.5099999999999998 109.244 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 38' ' ' LEU . 89.2 t -96.32 113.16 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.57999999999999996 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.76 113.03 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.79 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -108.51 161.12 15.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 0.46999999999999997 107.981 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 94' ' ' THR . 6.1 mtp-105 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 5.8399999999999999 110.303 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.4 pt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.342 -0.614 . . . . 3.1299999999999999 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 84' ' ' ARG . 72.3 p -93.08 150.85 20.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.81000000000000005 110.394 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.533 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -154.71 155.5 26.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.35 147.51 39.92 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 0.744 . . . . 0.88 110.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 9' ' ' PRO . 46.3 t -136.59 103.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.55000000000000004 109.28 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.1 t -86.44 137.21 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.63 110.329 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 19.7 p90 -144.76 157.22 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.0099999999999998 110.976 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -103.65 164.85 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 3.0800000000000001 109.34 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 5.0 t -148.11 115.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0900000000000001 109.248 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.6 mmtt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 2.9100000000000001 109.316 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.299 -0.63 . . . . 1.05 109.299 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.741 HG21 ' H ' ' A' ' 26' ' ' SER . 79.3 t -54.21 -79.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.593 1.183 . . . . 0.85999999999999999 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.415 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -148.55 144.75 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.77000000000000002 110.005 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 23' ' ' LEU . 60.4 p -155.92 165.37 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.35999999999999999 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 56.4 m -137.18 57.83 16.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.55000000000000004 110.367 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -62.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.45000000000000001 110.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.43 47.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.40999999999999998 109.247 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -42.17 107.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 2.1200000000000001 110.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.59 37.28 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.78000000000000003 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.421 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -73.15 100.55 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 1.21 109.998 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.85 119.95 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 2.29 110.222 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.34 -49.72 0.4 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.413 1.071 . . . . 1.1100000000000001 111.026 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.46 172.58 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 1.8899999999999999 109.265 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.02 134.98 42.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 1.51 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.71 12.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 1.1799999999999999 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.15 -53.91 11.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.71999999999999997 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 151.24 29.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 2.48 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.76 139.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.44 109.29 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 tt0 -110.9 148.13 33.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.8600000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.21 143.12 27.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.486 1.116 . . . . 0.56000000000000005 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.563 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 53.8 m-70 -140.26 158.68 43.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.81000000000000005 109.567 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 17.2 m-85 -155.24 110.57 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 2.1600000000000001 111.06 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.741 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.6 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.8899999999999999 109.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.0 -0.84 . . . . 0.98999999999999999 111.0 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.29 153.9 31.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.71999999999999997 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -152.31 124.15 7.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 2.79 109.264 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 39' ' ' VAL . 5.0 tp -95.33 129.9 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.73999999999999999 109.303 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.731 ' N ' HD12 ' A' ' 38' ' ' LEU . 33.6 m -124.58 138.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.68000000000000005 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.7 tmm? -93.0 95.58 9.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 2.23 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.5 t -115.05 73.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.03 110.41 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 2.23 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.561 0.219 . . . . 3.0299999999999998 110.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.33 151.4 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.94999999999999996 109.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.6 p -105.41 165.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.277 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -88.51 100.74 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 3.6200000000000001 109.233 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -147.5 172.2 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.81999999999999995 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.03 141.58 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.66000000000000003 109.342 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.0 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.98 109.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.4 m -131.59 138.34 48.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.03 109.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.56 1.163 . . . . 0.96999999999999997 111.001 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.309 -0.626 . . . . 2.8399999999999999 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -107.58 133.68 51.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.05 110.413 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -133.32 147.64 51.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.55 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -146.33 117.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.8899999999999999 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.503 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -86.22 126.93 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.53000000000000003 109.265 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -128.68 111.61 19.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.58999999999999997 110.424 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 134.67 18.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.53 1.805 . . . . 0.78000000000000003 111.074 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.64 -21.67 59.32 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.549 1.155 . . . . 0.77000000000000002 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.25 156.88 45.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 110.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.32 12.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.789 . . . . 0.87 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.5 mt -76.18 115.96 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.70999999999999996 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 p -85.3 163.34 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.1599999999999999 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.88 109.33 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.01 -153.15 17.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.76000000000000001 111.012 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 69.5 m -131.27 140.17 49.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.88 110.4 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -139.98 168.55 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 1.99 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -140.64 122.49 15.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 2.8599999999999999 109.35 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.586 HG22 HD13 ' A' ' 38' ' ' LEU . 94.3 t -98.48 101.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.64000000000000001 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.1 120.25 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 1.8899999999999999 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.499 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.0 p-90 -116.93 159.09 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.54000000000000004 108.072 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HG2' HG22 ' A' ' 94' ' ' THR . 86.5 mtt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 3.2799999999999998 110.37 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.256 -0.646 . . . . 3.3199999999999998 109.256 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 84' ' ' ARG . 44.4 p -122.85 138.24 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.96999999999999997 110.441 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.499 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.38 163.12 31.87 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.70999999999999996 111.021 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.86 156.8 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 1.1899999999999999 109.983 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.763 HG11 ' HG2' ' A' ' 9' ' ' PRO . 21.4 t -131.44 110.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.52000000000000002 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.46 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 14.0 t -88.7 141.32 28.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.68000000000000005 110.399 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.1 p90 -151.01 149.93 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.9099999999999999 110.964 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -102.76 166.27 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 5.3099999999999996 109.218 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.7 t -144.94 112.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.70999999999999996 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 2.7999999999999998 109.311 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.302 -0.629 . . . . 0.92000000000000004 109.302 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.43 -78.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.284 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -144.82 149.86 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.67000000000000004 110.027 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.931 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.4 p -157.38 163.26 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.44 109.967 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.3 m -136.93 58.67 19.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.57999999999999996 110.347 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.805 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.578 1.83 . . . . 0.54000000000000004 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.656 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -176.12 46.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.47999999999999998 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.08 108.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 2.73 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.98 38.46 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.71999999999999997 111.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.48 94.5 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.56 0.8 . . . . 1.3 110.001 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.96 124.58 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.3799999999999999 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.15 -56.98 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 0.91000000000000003 111.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -164.63 172.86 12.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 1.74 109.25 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.74 135.22 71.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.3799999999999999 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.03 162.57 36.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 1.1299999999999999 110.931 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.49 5.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.82999999999999996 109.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 151.63 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.4399999999999999 109.331 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.97 133.07 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.47999999999999998 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE2' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -107.52 147.76 30.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 4.6699999999999999 110.34 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.931 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -147.31 143.88 28.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.48999999999999999 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.419 ' O ' HD23 ' A' ' 4' ' ' LEU . 53.3 m-70 -135.55 156.04 49.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.488 1.118 . . . . 0.63 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 38.3 m-85 -154.97 93.51 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.0499999999999998 110.986 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.8799999999999999 109.983 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.039 -0.824 . . . . 0.79000000000000004 111.039 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.89 159.8 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.72999999999999998 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -154.87 124.77 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 2.5600000000000001 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.076 HD13 HG22 ' A' ' 81' ' ' VAL . 12.3 tp -94.33 138.16 32.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.60999999999999999 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.687 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.1 m -138.07 137.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.70999999999999996 109.243 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.0 ttt -93.81 97.98 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.3399999999999999 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.88 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.94999999999999996 110.382 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 2.0 109.286 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.538 0.208 . . . . 2.3300000000000001 111.04 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.53 149.18 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.77000000000000002 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.92 146.23 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.83999999999999997 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.8 120.16 15.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 4.1600000000000001 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -144.04 175.24 10.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.63 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.87 141.16 49.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.92000000000000004 109.225 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 68' ' ' ILE . 2.7 m -119.1 123.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 2.0499999999999998 109.333 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.4 m -140.35 175.73 9.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.5800000000000001 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.80000000000000004 111.018 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.234 -0.654 . . . . 3.2000000000000002 109.234 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.41 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.3 m -114.78 120.09 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.68000000000000005 110.395 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.99 161.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.29 110.997 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.474 HG23 ' C ' ' A' ' 66' ' ' MET . 95.8 t -155.59 117.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.5700000000000001 109.331 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -95.86 132.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.65000000000000002 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.9 109.2 9.94 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.48999999999999999 110.427 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.5 Cg_endo -74.95 134.62 18.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.46000000000000002 111.074 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.41 -26.9 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.67000000000000004 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.42 146.44 32.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.77000000000000002 109.94 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.52 11.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.78000000000000003 110.956 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -77.07 116.13 17.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.66000000000000003 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.2 p -89.6 174.92 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.85999999999999999 110.442 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -45.73 167.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.72999999999999998 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 -154.48 16.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.57999999999999996 111.066 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 m -138.69 137.52 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.616 0.833 . . . . 0.81000000000000005 110.364 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.9 m-85 -136.82 163.76 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.95 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 113.54 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 2.1400000000000001 109.329 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.076 HG22 HD13 ' A' ' 38' ' ' LEU . 33.9 t -91.83 104.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 124.1 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 1.8799999999999999 109.186 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.611 ' HE1' HG23 ' A' ' 97' ' ' VAL . 23.4 p-90 -117.94 159.84 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.60999999999999999 108.029 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 2.8900000000000001 110.287 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.9 mm . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.302 -0.629 . . . . 2.7400000000000002 109.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.4 p -125.56 138.17 53.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.92000000000000004 110.336 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -164.62 163.15 36.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.64000000000000001 110.933 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -141.65 166.02 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.758 . . . . 1.3600000000000001 110.036 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.805 HG21 ' HG2' ' A' ' 9' ' ' PRO . 65.2 t -136.88 111.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.66000000000000003 109.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 t -93.37 139.75 30.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.59999999999999998 110.402 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -143.24 153.94 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 110.978 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -110.36 157.53 19.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 2.5699999999999998 109.253 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 76' ' ' ALA . 98.2 t -138.35 117.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.70999999999999996 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 3.2799999999999998 109.253 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.292 -0.632 . . . . 0.95999999999999996 109.292 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.79 HG21 ' H ' ' A' ' 26' ' ' SER . 64.8 t -57.73 -81.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.67000000000000004 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.504 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -140.17 146.62 39.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.63 110.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.954 ' HB2' HD23 ' A' ' 23' ' ' LEU . 68.1 p -156.31 166.07 34.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.40000000000000002 109.944 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 93.5 m -136.98 58.82 19.54 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.55000000000000004 110.401 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.01 -65.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.457 1.767 . . . . 0.44 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.22 45.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.46999999999999997 109.248 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -47.82 107.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 2.25 110.305 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.25 51.27 2.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.98999999999999999 111.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.49 116.49 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 1.78 109.981 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -105.23 124.22 49.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.78 110.347 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.19 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 1.1299999999999999 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' C ' HG13 ' A' ' 101' ' ' VAL . . . -173.39 -165.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 2.04 109.231 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -52.79 107.94 0.97 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.464 1.103 . . . . 2.96 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 2.2000000000000002 111.046 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.09 -72.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.89000000000000001 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 159.35 39.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 1.09 . . . . 2.3500000000000001 109.304 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.47999999999999998 109.251 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -112.75 149.89 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.4399999999999999 110.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.7 mt -147.23 142.66 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 56.2 m-70 -137.53 159.78 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.70999999999999996 109.556 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 51.3 m-85 -155.95 141.0 17.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 2.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.79 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.5 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.5700000000000001 110.006 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.95 -0.86 . . . . 0.80000000000000004 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -151.88 168.8 23.97 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.545 0.791 . . . . 0.77000000000000002 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -155.06 127.77 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 2.3599999999999999 109.275 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.869 HD12 ' H ' ' A' ' 39' ' ' VAL . 6.3 tp -96.03 142.55 28.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.68999999999999995 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.869 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -139.03 132.95 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.69999999999999996 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.9 ttt -85.89 97.36 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 2.1899999999999999 111.055 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 41' ' ' THR . 12.2 t -108.68 59.59 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.80000000000000004 110.43 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.0699999999999998 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.5 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.194 . . . . 3.6400000000000001 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.45 130.15 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.75 109.25 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -96.54 157.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.84999999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -82.35 98.05 8.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 4.8200000000000003 109.262 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.42 175.2 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.65000000000000002 109.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.2 140.69 24.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.64000000000000001 109.327 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.3 128.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 2.1200000000000001 109.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -132.62 126.96 33.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.21 109.984 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 1.21 111.035 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.304 -0.628 . . . . 2.3300000000000001 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -100.8 129.91 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.66000000000000003 110.44 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.507 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.2 mpp? -120.42 160.83 22.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.5 110.944 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 66' ' ' MET . 87.4 t -153.63 115.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.6599999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -87.5 123.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.53000000000000003 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.35 110.88 17.93 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.56000000000000005 110.371 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.07 135.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.57999999999999996 110.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -22.94 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.7 152.4 51.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 1.1499999999999999 110.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 134.46 17.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 1.1399999999999999 110.953 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.68 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 27.8 mt -70.98 116.98 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.84999999999999998 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -84.79 158.29 20.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.81000000000000005 110.404 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.71 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -43.72 143.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.90000000000000002 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.86 -155.13 24.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.455 1.097 . . . . 0.52000000000000002 111.025 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.697 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 47.5 m -132.45 136.84 46.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.62 110.449 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.862 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -136.73 162.52 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.97 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.46 117.48 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.1499999999999999 109.369 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.545 HG22 HD13 ' A' ' 38' ' ' LEU . 97.0 t -93.9 99.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.5 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.65 109.01 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.269 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.8 p-90 -107.26 161.15 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.51000000000000001 108.033 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 94' ' ' THR . 56.4 mtm180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 4.0199999999999996 110.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.631 . . . . 3.0299999999999998 109.295 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 84' ' ' ARG . 57.8 p -110.04 148.95 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.76000000000000001 110.459 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.39 158.96 29.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.44 110.982 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.82 154.29 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.70999999999999996 109.97 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.735 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.6 t -140.01 101.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.45000000000000001 109.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 6.2 t -85.98 134.55 33.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.52000000000000002 110.383 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.68 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 3.8 p90 -140.95 149.5 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.8400000000000001 111.005 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -103.95 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 2.2599999999999998 109.307 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.1 t -141.07 112.51 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.55000000000000004 109.289 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 2.52 109.307 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.245 -0.65 . . . . 0.87 109.245 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.734 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -59.43 -83.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.67000000000000004 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.411 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -142.73 146.91 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.52000000000000002 110.084 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.821 ' HB2' HD23 ' A' ' 23' ' ' LEU . 49.4 p -156.52 163.81 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.35999999999999999 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -136.73 59.36 23.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.63 110.385 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.412 1.743 . . . . 0.45000000000000001 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.29 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.118 . . . . 0.39000000000000001 109.351 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.12 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 2.9700000000000002 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.78 36.59 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.69999999999999996 111.032 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.82 93.83 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.24 110.037 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.54 125.09 50.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.97 110.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -49.7 0.59 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.567 1.167 . . . . 1.04 110.976 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 168.18 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 1.8200000000000001 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -86.04 136.87 35.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.48 109.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 -168.06 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 1.48 110.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.37 -52.08 5.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.77000000000000002 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 157.58 37.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 2.9500000000000002 109.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.94 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.42999999999999999 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.55 147.13 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 1.6599999999999999 110.366 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -146.97 144.41 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.46000000000000002 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.417 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.1 m-70 -140.23 143.87 36.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.56000000000000005 109.641 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -147.31 130.07 16.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 2.1099999999999999 111.025 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.734 ' H ' HG21 ' A' ' 5' ' ' VAL . 51.8 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 3.2799999999999998 109.975 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.054 -0.818 . . . . 0.82999999999999996 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -141.44 169.7 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.81000000000000005 109.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.38 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 4.8899999999999997 109.273 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 39' ' ' VAL . 4.0 tp -93.01 134.2 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.60999999999999999 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.776 ' N ' HD12 ' A' ' 38' ' ' LEU . 27.8 m -131.31 135.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.67000000000000004 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.2 tmm? -87.08 94.01 9.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.8100000000000001 111.025 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -117.85 59.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0800000000000001 110.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 2.0699999999999998 109.278 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.509 0.195 . . . . 3.29 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -71.18 143.37 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.73999999999999999 109.324 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.4 p -107.29 169.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.21 96.56 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 4.5800000000000001 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -136.13 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.67000000000000004 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.68000000000000005 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.672 HG12 HG13 ' A' ' 68' ' ' ILE . 3.7 m -108.34 124.65 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 1.8100000000000001 109.224 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 m -138.32 132.44 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.1699999999999999 110.003 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.81000000000000005 111.0 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.35 -0.611 . . . . 2.6299999999999999 109.35 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -114.4 132.39 56.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.75 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.489 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.19 146.36 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.6100000000000001 111.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.27 113.13 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.6399999999999999 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.672 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -90.09 121.96 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.47999999999999998 109.266 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -126.6 107.83 23.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.56000000000000005 110.372 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 136.3 20.13 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.548 1.815 . . . . 0.56999999999999995 110.992 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.49 72.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.80000000000000004 109.352 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.89 149.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.84999999999999998 109.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.78000000000000003 110.938 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -75.76 117.27 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.79000000000000004 109.299 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.0 p -96.96 162.81 13.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.88 110.402 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.21 156.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.76000000000000001 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.08 -149.78 19.84 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.566 1.166 . . . . 0.57999999999999996 110.983 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.3 m -147.57 132.46 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 0.824 . . . . 0.83999999999999997 110.388 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.1 m-85 -137.61 175.3 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 2.02 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.43 115.59 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1600000000000001 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 38' ' ' LEU . 47.9 t -84.85 111.52 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.64000000000000001 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.58 113.58 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.8400000000000001 109.314 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.6 p-90 -110.24 157.48 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.54000000000000004 107.996 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.81 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.3 mpt_? . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 4.3700000000000001 110.26 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 93' ' ' ILE . 1.1 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.239 -0.652 . . . . 2.8100000000000001 109.239 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.81 HG22 ' HG2' ' A' ' 84' ' ' ARG . 20.0 p -112.91 137.92 50.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.01 110.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -142.06 160.71 27.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.46999999999999997 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.88 155.16 49.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.70999999999999996 110.018 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.877 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -139.71 104.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.51000000000000001 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.0 t -85.01 140.71 30.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.54000000000000004 110.422 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 2.9 p90 -150.43 149.68 30.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.8899999999999999 111.04 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -108.53 160.88 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 2.4300000000000002 109.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 76' ' ' ALA . 75.0 t -140.19 120.25 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.60999999999999999 109.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.0299999999999998 109.345 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.245 -0.65 . . . . 0.85999999999999999 109.245 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.822 HG21 ' H ' ' A' ' 26' ' ' SER . 93.2 t -57.68 -85.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.65000000000000002 109.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.492 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -136.46 148.33 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.5 110.007 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 66.7 p -157.16 165.55 35.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.31 110.027 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.74 ' O ' HG22 ' A' ' 8' ' ' THR . 1.5 m -138.52 58.45 14.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.77000000000000002 110.377 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.728 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.39000000000000001 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -177.26 45.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.44 109.372 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.4 107.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 2.3799999999999999 110.273 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.06 37.35 2.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.71999999999999997 111.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.451 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.08 93.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 0.722 . . . . 1.24 109.958 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.38 120.09 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.25 110.312 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.94 -47.8 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 1.01 111.01 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.88 166.08 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 1.8 109.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.709 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -71.72 136.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.3799999999999999 109.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 148.14 34.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 1.27 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -57.03 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.92000000000000004 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 149.37 26.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.79 109.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -86.07 139.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.40000000000000002 109.344 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.76 151.0 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.8500000000000001 110.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.87 146.15 28.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.578 1.174 . . . . 0.42999999999999999 109.281 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -136.71 160.27 39.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.82999999999999996 109.618 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 50.0 m-85 -154.42 117.5 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 2.0800000000000001 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.822 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.8 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 1.9199999999999999 109.965 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.011 -0.836 . . . . 1.1599999999999999 111.011 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.24 157.75 37.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 0.93000000000000005 109.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.41 114.31 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 4.0800000000000001 109.36 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.009 HD13 HG22 ' A' ' 81' ' ' VAL . 28.9 tp -87.28 131.86 34.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.02 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.0 m -134.2 132.96 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.56999999999999995 109.33 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 10.6 ttt -91.36 96.59 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 2.0899999999999999 111.07 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 41' ' ' THR . 13.1 t -106.59 60.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.77000000000000002 110.469 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 2.02 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.467 0.175 . . . . 2.73 111.003 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.66 143.03 35.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.358 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.1 p -113.58 164.52 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 1.1000000000000001 109.296 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.56 129.7 34.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 3.4199999999999999 109.336 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.76 174.89 13.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.78000000000000003 109.376 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.84 146.2 49.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.95999999999999996 109.226 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.663 HG12 HG13 ' A' ' 68' ' ' ILE . 22.7 m -113.26 119.69 61.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 2.0499999999999998 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 m -114.83 175.35 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.3999999999999999 110.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.412 1.07 . . . . 1.25 111.025 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.241 -0.652 . . . . 2.1000000000000001 109.241 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -98.47 112.98 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.72999999999999998 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.04 150.21 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.28 111.038 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -142.98 114.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.97 109.344 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.663 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -89.29 129.63 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.56999999999999995 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -139.77 108.52 7.1 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.77000000000000002 110.37 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.96 134.72 18.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.53000000000000003 111.045 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.75 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.70999999999999996 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 148.47 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.77000000000000002 109.988 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.542 1.811 . . . . 0.69999999999999996 111.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 60.4 mt -80.21 116.86 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.58999999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -93.36 173.16 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.60999999999999999 110.399 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -49.97 167.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.543 1.152 . . . . 0.64000000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.24 -150.38 17.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.56999999999999995 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -139.84 132.51 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 0.68000000000000005 110.394 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.9 m-85 -134.0 171.54 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 2.0299999999999998 111.022 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -146.5 111.88 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 3.1499999999999999 109.351 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.009 HG22 HD13 ' A' ' 38' ' ' LEU . 44.2 t -85.08 116.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.52000000000000002 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -98.4 115.12 27.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 1.9099999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.549 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -110.08 157.85 18.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.959 -1.126 . . . . 0.5 107.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.62 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.8999999999999999 110.244 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.343 -0.614 . . . . 2.6699999999999999 109.343 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.62 HG22 ' HG2' ' A' ' 84' ' ' ARG . 54.7 p -123.1 172.12 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.02 110.452 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -174.55 159.26 28.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.17 . . . . 0.53000000000000003 110.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.77 155.01 44.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.76000000000000001 110.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.728 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.9 t -142.05 107.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.52000000000000002 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 t -90.04 137.75 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.46999999999999997 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -149.14 146.46 27.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.75 111.039 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -102.22 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 2.6200000000000001 109.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.709 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.0 t -138.7 119.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.47999999999999998 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 2.5299999999999998 109.349 179.952 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.336 -0.616 . . . . 2.25 109.336 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.674 HG21 ' H ' ' A' ' 26' ' ' SER . 82.7 t -48.83 -70.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -156.27 150.12 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.60999999999999999 110.008 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.929 ' HB2' HD23 ' A' ' 23' ' ' LEU . 80.7 p -157.52 167.22 30.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.52000000000000002 109.977 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 m -140.95 56.67 6.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.68999999999999995 110.408 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.833 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.02 -72.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.40000000000000002 111.045 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.48 43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.40999999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -37.56 101.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 2.4500000000000002 110.338 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.03 36.91 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.80000000000000004 110.993 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.87 100.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 1.26 110.043 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -105.57 120.36 41.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 1.8200000000000001 110.323 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.04 -44.37 0.58 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.578 1.174 . . . . 0.98999999999999999 110.994 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.98 167.29 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 0.817 . . . . 1.8 109.301 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 136.4 56.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.54 109.286 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -75.02 144.62 30.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 1.54 110.994 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -53.1 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.85999999999999999 109.347 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 151.49 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 3.3199999999999998 109.336 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.59 144.49 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.47999999999999998 109.312 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.4 mt-10 -120.13 150.49 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.5600000000000001 110.283 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.929 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -148.22 143.64 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.82999999999999996 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 71.0 m-70 -135.99 155.1 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.81000000000000005 109.564 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 4' ' ' LEU . 12.8 m-85 -154.83 105.09 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 2.9399999999999999 111.025 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.674 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.5700000000000001 110.008 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 1.27 111.01 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.66 163.01 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 109.335 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -155.17 120.53 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 2.5600000000000001 109.309 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 39' ' ' VAL . 8.1 tp -90.6 135.19 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.68000000000000005 109.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.721 ' N ' HD12 ' A' ' 38' ' ' LEU . 18.1 m -129.51 131.69 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.75 109.292 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.548 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.16 96.08 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.74 111.036 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -107.08 59.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.1499999999999999 110.37 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 2.2999999999999998 109.29 179.992 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 mmm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.476 0.179 . . . . 2.6600000000000001 111.021 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -69.75 149.57 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.61 174.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0900000000000001 109.322 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.13 116.84 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.9900000000000002 109.249 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.26 173.1 13.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.78000000000000003 109.319 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.4 148.11 39.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.94999999999999996 109.246 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.29 125.54 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 2.1000000000000001 109.263 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -136.61 131.15 33.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.031 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.89000000000000001 111.05 179.944 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.318 -0.623 . . . . 2.52 109.318 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -106.65 111.77 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.78000000000000003 110.439 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.98 151.99 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.23 110.98 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 58.6 t -144.89 115.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 1.6399999999999999 109.304 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -88.41 124.5 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.60999999999999999 109.241 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.92 109.09 18.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.75 110.395 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.99 135.52 19.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.567 1.825 . . . . 0.68999999999999995 110.998 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -29.37 65.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.93000000000000005 109.274 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.51 151.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.90000000000000002 110.045 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 138.81 23.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 0.92000000000000004 110.999 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 61.2 mt -89.58 118.19 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.64000000000000001 109.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -93.62 170.51 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.67000000000000004 110.456 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.87 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.85999999999999999 109.28 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.03 -153.44 17.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.73999999999999999 111.018 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 31.6 m -131.17 137.57 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.75 110.393 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.605 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 m-85 -141.55 171.04 14.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 2.1600000000000001 110.966 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.48 113.91 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.2799999999999998 109.245 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.671 ' CG2' HD13 ' A' ' 38' ' ' LEU . 71.7 t -87.96 104.86 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.69999999999999996 109.288 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 109.37 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.3399999999999999 109.28 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 21.6 p-90 -103.83 155.67 18.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.77000000000000002 107.994 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 2.6299999999999999 110.319 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 84' ' ' ARG . 2.5 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.359 -0.608 . . . . 3.9500000000000002 109.359 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.3 p -84.67 143.32 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.98999999999999999 110.445 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -165.24 157.59 30.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.71999999999999997 110.933 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -148.62 145.66 27.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.95999999999999996 110.015 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.833 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.8 t -127.85 111.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.54000000000000004 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.6 t -86.62 141.42 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.62 110.43 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 79' ' ' TYR . 28.8 p90 -151.75 154.11 35.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.97 111.057 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -104.17 163.03 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 2.98 109.294 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 76' ' ' ALA . 57.4 t -139.05 120.71 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 0.73999999999999999 109.235 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 3.6000000000000001 109.323 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.296 -0.631 . . . . 0.88 109.296 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.622 HG21 ' H ' ' A' ' 26' ' ' SER . 54.0 t -53.88 -76.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.67000000000000004 109.301 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.594 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.8 m -152.07 151.44 31.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.54000000000000004 110.01 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.961 ' HB2' HD23 ' A' ' 23' ' ' LEU . 58.6 p -157.55 164.11 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.35999999999999999 110.003 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.745 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -137.3 59.86 23.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.81999999999999995 110.407 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.812 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 -75.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.473 1.775 . . . . 0.55000000000000004 110.936 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.41 46.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.40000000000000002 109.379 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.14 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.9399999999999999 110.338 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.78 37.96 7.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.78000000000000003 110.981 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 t -71.68 95.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.8400000000000001 110.01 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -107.62 128.36 54.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 1.9399999999999999 110.293 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.7 -45.81 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.1100000000000001 111.025 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.66 166.53 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.8300000000000001 109.253 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.43 136.09 56.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 1.4199999999999999 109.268 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.576 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.92 150.08 38.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.732 . . . . 1.25 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.46 -55.1 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.77000000000000002 109.34 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.67 148.67 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 4.2199999999999998 109.276 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -84.89 144.66 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.48999999999999999 109.313 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tt0 -117.13 149.0 41.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 1.78 110.29 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.53 144.06 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.42999999999999999 109.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.449 ' O ' HD23 ' A' ' 4' ' ' LEU . 65.6 m-70 -136.37 147.46 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.54000000000000004 109.596 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 44.9 m-85 -155.31 116.23 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 2.8300000000000001 111.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.622 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.3 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.55 109.966 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.034 -0.826 . . . . 0.88 111.034 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -131.95 164.83 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.80000000000000004 109.306 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.66 128.71 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 3.0800000000000001 109.313 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 53' ' ' VAL . 9.9 tp -93.7 121.85 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.3400000000000001 109.279 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.44 134.26 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.04 109.257 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.1 ttt -90.32 96.45 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.6499999999999999 110.966 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 41' ' ' THR . 6.8 t -113.11 59.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 1.29 110.403 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.5099999999999998 109.295 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.446 0.165 . . . . 4.4299999999999997 110.971 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.65 140.15 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.1899999999999999 109.307 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 38' ' ' LEU . 4.1 p -97.83 174.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.3500000000000001 109.244 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.44 58.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 4.75 109.284 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -98.24 173.84 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.91 139.69 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.63 109.397 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 p -92.38 130.64 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.1099999999999999 109.295 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.07 136.0 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.27 110.043 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 1.49 110.941 -179.959 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 pttt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.322 -0.622 . . . . 2.1899999999999999 109.322 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -87.95 120.63 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.398 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.437 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.3 mpp? -110.16 151.75 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.3799999999999999 111.028 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.0 t -151.04 121.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.9199999999999999 109.322 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -91.84 124.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 109.296 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -131.78 109.11 14.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.60999999999999999 110.397 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.02 134.96 18.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.51000000000000001 111.044 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.43 78.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.337 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 153.99 37.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.01 109.965 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 126.74 10.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.80000000000000004 110.983 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.782 HD21 HD21 ' A' ' 38' ' ' LEU . 29.7 mt -71.13 115.74 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.56999999999999995 109.266 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.9 p -90.33 169.2 11.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 110.417 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.82 167.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.68999999999999995 109.319 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.51 -151.61 16.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.62 110.977 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.513 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -138.25 130.62 28.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 1.22 110.39 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -135.18 169.65 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 2.02 110.945 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.66 115.34 8.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 3.1800000000000002 109.309 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.63 ' CG2' HD13 ' A' ' 38' ' ' LEU . 2.4 t -87.91 116.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.87 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.34 124.81 44.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 2.3100000000000001 109.287 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 47.8 p-90 -118.97 158.02 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.52000000000000002 108.014 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.846 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 3.25 110.323 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 93' ' ' ILE . 2.8 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.219 -0.66 . . . . 3.6000000000000001 109.219 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.846 HG22 ' CG ' ' A' ' 84' ' ' ARG . 17.5 p -90.4 161.26 15.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.93999999999999995 110.399 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -166.83 159.94 33.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.42999999999999999 111.014 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.05 154.05 45.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.75 110.021 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.812 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.7 t -136.97 107.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.52000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.7 t -89.4 138.58 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.5 110.433 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.4 p90 -150.15 150.34 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 1.76 110.937 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -104.67 164.0 12.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 2.7799999999999998 109.281 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 76' ' ' ALA . 87.4 t -141.13 120.82 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.54000000000000004 109.361 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 2.4900000000000002 109.297 179.987 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.339 -0.615 . . . . 1.01 109.339 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.437 HG21 ' H ' ' A' ' 26' ' ' SER . 74.6 t -56.54 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.91000000000000003 109.261 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.529 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -139.1 153.63 48.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.88 110.03 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 23' ' ' LEU . 13.9 p -157.98 168.96 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.41999999999999998 109.971 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 12.0 m -140.05 57.1 8.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.68000000000000005 110.409 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.749 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.41999999999999998 111.007 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.95 44.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.56999999999999995 109.394 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 101.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 2.27 110.283 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.88 40.37 3.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.80000000000000004 110.962 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.97 95.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 1.26 110.033 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.01 121.96 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.8799999999999999 110.267 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.31 -45.09 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.93999999999999995 110.965 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.91 166.93 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.8 109.293 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.34 138.19 71.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.3799999999999999 109.334 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.0 Cg_endo -75.07 140.05 24.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 1.3700000000000001 110.934 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.98 33.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.88 109.28 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 148.9 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 4.4199999999999999 109.291 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.626 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.86 142.91 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.46999999999999997 109.287 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -119.3 149.74 41.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 2.2599999999999998 110.252 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' HD13 ' A' ' 68' ' ' ILE . 4.7 mt -145.2 142.58 29.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.59999999999999998 109.298 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.747 ' O ' HD23 ' A' ' 4' ' ' LEU . 59.0 m-70 -136.1 148.31 48.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.77000000000000002 109.626 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 5.5 m-85 -155.16 131.9 10.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 3.0499999999999998 111.007 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.437 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.72 109.969 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.82 . . . . 1.1799999999999999 111.049 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.14 152.73 29.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 1.3 109.222 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -154.73 122.19 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 2.6400000000000001 109.32 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.956 HD13 HG22 ' A' ' 81' ' ' VAL . 23.8 tp -91.51 139.83 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.90000000000000002 109.327 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.5 m -131.9 144.36 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.68999999999999995 109.295 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.542 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -104.59 95.68 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 2.3700000000000001 111.008 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 41' ' ' THR . 13.0 t -109.39 59.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.85999999999999999 110.458 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 2.98 109.348 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.5 0.191 . . . . 2.2799999999999998 111.025 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.86 140.2 52.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.79000000000000004 109.257 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 p -123.66 159.12 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 1.04 109.299 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -78.11 129.87 35.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.3599999999999999 109.286 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -155.11 175.26 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.341 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.28 145.75 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.92000000000000004 109.309 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.77 127.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 1.9199999999999999 109.318 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' VAL . 6.5 m -149.39 144.42 26.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.22 109.951 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 1.3999999999999999 110.973 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 3.1899999999999999 109.331 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -94.49 117.63 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 1.05 110.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -98.75 154.09 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.29 111.016 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 81.9 t -149.13 119.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.6799999999999999 109.29 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.595 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.6 mp -99.47 134.29 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 109.315 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.69 119.15 9.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.82999999999999996 110.38 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.558 ' HG3' HD11 ' A' ' 74' ' ' LEU . 18.5 Cg_endo -74.91 134.16 17.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.54000000000000004 111.036 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.76 -26.08 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.75 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 157.15 34.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.76000000000000001 110.064 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.19 12.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.80000000000000004 110.973 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.5 mt -77.27 116.15 17.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.75 109.226 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.9 p -95.38 170.68 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.68999999999999995 110.428 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.26 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.79000000000000004 109.348 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -149.61 17.87 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.555 1.159 . . . . 0.51000000000000001 111.018 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 31.2 m -140.13 136.5 33.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.70999999999999996 110.458 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 38' ' ' LEU . 7.8 m-85 -135.12 161.81 34.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.8600000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -130.48 111.62 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 4.21 109.292 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.956 HG22 HD13 ' A' ' 38' ' ' LEU . 60.5 t -86.18 99.24 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.72999999999999998 109.311 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.91 123.71 34.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.96 109.299 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.9 p-90 -123.11 151.02 42.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.88 108.012 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' HG2' HG22 ' A' ' 94' ' ' THR . 1.2 mtt85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 3.0299999999999998 110.323 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.368 -0.604 . . . . 2.3999999999999999 109.368 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 84' ' ' ARG . 19.0 p -85.36 160.11 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.89000000000000001 110.422 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -173.66 151.77 14.0 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.544 1.152 . . . . 0.68999999999999995 111.024 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.84 155.19 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 1.1399999999999999 109.989 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 9' ' ' PRO . 69.6 t -132.56 103.04 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.541 1.151 . . . . 0.93999999999999995 109.3 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 5.7 t -86.6 141.68 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 110.367 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.7 p90 -154.11 148.58 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.8 110.974 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -103.67 159.06 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 3.1899999999999999 109.375 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.3 t -134.9 121.99 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.48999999999999999 109.3 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.4500000000000002 109.242 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.316 -0.624 . . . . 0.96999999999999997 109.316 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG21 ' H ' ' A' ' 26' ' ' SER . 58.6 t -51.53 -76.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.83999999999999997 109.248 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.621 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -152.32 152.67 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.53000000000000003 109.965 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.958 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.0 p -156.82 167.03 31.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.35999999999999999 109.986 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.527 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -137.35 58.17 16.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.92000000000000004 110.413 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.814 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.93 -63.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.54000000000000004 110.973 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.73 44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 0.72999999999999998 109.299 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -47.12 107.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 2.7000000000000002 110.254 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.06 63.7 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.17 . . . . 1.52 110.965 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.45 129.2 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 2.5099999999999998 109.95 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -101.53 138.03 39.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 3.77 110.322 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -160.65 -116.13 0.4 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.425 1.078 . . . . 1.97 110.935 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 174.78 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 4.4900000000000002 109.259 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 63.19 86.94 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 3.25 109.312 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.874 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.01 175.52 11.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 2.2000000000000002 110.991 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.73 -75.54 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.92000000000000004 109.304 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 158.05 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 3.3399999999999999 109.28 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.539 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -88.77 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.60999999999999999 109.291 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -111.37 149.71 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 1.6899999999999999 110.296 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -148.57 144.7 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.46000000000000002 109.287 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.595 ' O ' HD23 ' A' ' 4' ' ' LEU . 73.0 m-70 -136.07 149.84 48.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.53000000000000003 109.642 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 25.3 m-85 -153.3 119.87 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 2.1099999999999999 111.015 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.727 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.6 m . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 1.6299999999999999 109.997 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.19 168.61 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 132.36 10.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 5.2599999999999998 109.25 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.788 HD12 ' H ' ' A' ' 39' ' ' VAL . 8.5 tp -90.62 143.11 27.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.77000000000000002 109.355 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.7 m -141.64 137.38 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.81999999999999995 109.355 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.3 ttt -90.14 97.62 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 2.2799999999999998 111.023 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' THR . 6.7 t -117.49 59.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.29 110.463 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.3799999999999999 109.269 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.508 0.194 . . . . 4.2199999999999998 111.001 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.51 139.9 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.85999999999999999 109.26 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 38' ' ' LEU . 1.3 p -103.57 155.83 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.89000000000000001 109.335 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -78.88 57.95 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 5.0199999999999996 109.297 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -94.18 174.67 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.1000000000000001 109.3 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.05 148.23 33.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 1.1000000000000001 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 68' ' ' ILE . 4.8 m -111.43 126.21 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 2.1299999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -139.07 132.51 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.3600000000000001 109.964 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 1.1200000000000001 110.973 -179.971 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.278 -0.638 . . . . 2.6899999999999999 109.278 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.86 127.84 43.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 110.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.492 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.42 149.42 27.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.52 111.023 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 48.2 t -142.33 113.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 1.73 109.292 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.736 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.38 120.14 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.73999999999999999 109.316 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.0 104.23 18.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.68000000000000005 110.429 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.04 135.35 18.89 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.453 1.765 . . . . 0.73999999999999999 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.05 82.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0900000000000001 109.306 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.53 145.83 30.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.93000000000000005 109.988 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.04 12.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 1.21 110.959 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.874 HD12 ' HD2' ' A' ' 18' ' ' PRO . 29.9 mt -62.42 115.37 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.1100000000000001 109.332 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 p -86.39 162.54 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.81999999999999995 110.441 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.61 139.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.93000000000000005 109.307 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.29 -154.98 24.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.458 1.099 . . . . 0.56000000000000005 110.96 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.534 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.8 m -141.15 146.59 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 0.719 . . . . 1.0600000000000001 110.41 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 m-85 -142.75 171.45 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.8500000000000001 111.049 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.453 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -142.32 112.84 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 2.46 109.272 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.698 HG22 HD13 ' A' ' 38' ' ' LEU . 39.3 t -84.96 113.58 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.60999999999999999 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.54 125.47 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 2.3500000000000001 109.324 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 35.2 p-90 -121.09 149.2 43.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.964 -1.124 . . . . 0.69999999999999996 107.964 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.1400000000000001 110.272 179.987 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.8 mm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.268 -0.642 . . . . 2.7799999999999998 109.268 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.9 p -103.32 160.6 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0600000000000001 110.421 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.08 162.19 35.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.453 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -139.02 156.43 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.72999999999999998 110.002 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.814 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.6 t -136.06 108.66 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.42999999999999999 109.255 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.76 133.85 35.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.54000000000000004 110.355 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -142.05 161.56 37.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 1.77 110.948 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 158.47 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.71 109.32 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 76' ' ' ALA . 3.0 t -139.78 119.45 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.77000000000000002 109.313 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 2.7799999999999998 109.292 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.265 -0.642 . . . . 0.93000000000000005 109.265 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.845 HG21 ' H ' ' A' ' 26' ' ' SER . 90.9 t -63.86 -86.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.67000000000000004 109.26 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.5 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -132.36 147.56 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.64000000000000001 110.043 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 23' ' ' LEU . 65.6 p -157.39 166.99 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.47999999999999998 110.024 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.506 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 80.4 m -136.9 59.04 20.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.68999999999999995 110.413 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.861 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.97 -66.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.39000000000000001 110.964 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 166.89 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.57999999999999996 109.294 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.67 110.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 1.112 . . . . 2.23 110.335 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.76 35.85 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.73999999999999999 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.674 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 4.6 m -70.64 98.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 1.3 110.019 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -105.92 125.94 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.6899999999999999 110.283 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.73 -43.97 0.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.91000000000000003 110.997 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.92 165.56 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.8200000000000001 109.319 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -87.83 137.87 31.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 1.6399999999999999 109.301 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.99 172.51 16.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 1.49 111.01 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.35 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.05 109.293 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 154.36 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 2.96 109.334 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.56 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -86.0 144.73 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.42999999999999999 109.346 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -115.94 150.19 37.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 3.1600000000000001 110.267 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.01 143.78 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.40999999999999998 109.347 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.557 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.6 m-70 -136.87 160.79 37.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.53 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 13.6 m-85 -155.0 131.21 10.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 2.4199999999999999 110.996 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.845 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.1499999999999999 109.918 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.985 -0.846 . . . . 0.88 110.985 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.37 150.83 27.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 0.771 . . . . 0.78000000000000003 109.343 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 126.42 7.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.124 . . . . 2.71 109.329 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.812 HD13 HG22 ' A' ' 81' ' ' VAL . 6.1 tp -94.48 133.57 37.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.699 ' N ' HD12 ' A' ' 38' ' ' LEU . 3.2 m -134.26 137.53 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.83999999999999997 109.289 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -93.85 98.19 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3700000000000001 111.006 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -107.78 59.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.73999999999999999 110.366 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.1000000000000001 109.356 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ALA . 1.7 mtt . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.541 0.21 . . . . 3.46 110.997 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -40.26 144.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.88 109.256 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.41 146.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.97999999999999998 109.361 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.88 96.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 5.0700000000000003 109.236 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -140.28 175.24 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.70999999999999996 109.272 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.18 144.45 27.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.98999999999999999 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.33 128.3 60.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 2.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.0 m -137.73 147.58 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 1.4199999999999999 110.014 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 1.2 111.04 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 pttm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.251 -0.648 . . . . 2.3199999999999998 109.251 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -110.61 117.0 32.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.71999999999999997 110.373 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.546 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.26 160.87 14.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 1.6599999999999999 110.972 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 58' ' ' SER . 7.1 p -153.86 122.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 2.7799999999999998 109.25 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.643 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -95.66 122.91 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.5 109.315 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.31 107.38 24.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.66000000000000003 110.416 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.03 135.33 18.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.52000000000000002 110.977 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.98 74.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.69999999999999996 109.309 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.63 152.59 37.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.83999999999999997 110.044 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.77000000000000002 110.979 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -75.7 116.97 16.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.427 1.079 . . . . 0.70999999999999996 109.315 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 p -90.45 175.1 7.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.77000000000000002 110.407 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -58.04 161.62 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.80000000000000004 109.339 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.67 -154.46 19.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.63 110.97 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.01 134.23 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.1000000000000001 110.425 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -138.19 170.41 16.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.0800000000000001 110.997 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CE ' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -146.95 114.97 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 2.1699999999999999 109.283 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.812 HG22 HD13 ' A' ' 38' ' ' LEU . 35.6 t -86.84 108.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.59999999999999998 109.261 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.68 116.61 29.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 2.1000000000000001 109.333 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.0 p-90 -114.21 160.34 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.028 -1.101 . . . . 0.5 108.028 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 3.3399999999999999 110.257 -179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 93' ' ' ILE . 5.4 mp . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.293 -0.632 . . . . 2.3399999999999999 109.293 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -103.2 147.23 27.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.96999999999999997 110.437 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.534 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.56 155.33 26.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.55000000000000004 110.946 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.436 ' CB ' ' CE ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -144.81 144.21 31.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 0.727 . . . . 0.77000000000000002 109.933 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.861 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -125.55 105.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.63 109.359 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -89.03 136.39 33.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.52000000000000002 110.435 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.9 p90 -149.45 154.69 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.75 110.954 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -103.51 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 2.3300000000000001 109.24 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 76' ' ' ALA . 44.6 t -141.96 114.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.62 109.302 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 2.8599999999999999 109.341 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.297 -0.631 . . . . 1.1699999999999999 109.297 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.643 HG21 ' H ' ' A' ' 26' ' ' SER . 57.4 t -54.04 -81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.4399999999999999 109.327 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.648 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.22 151.19 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.89000000000000001 110.04 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.981 ' HB2' HD23 ' A' ' 23' ' ' LEU . 76.2 p -156.65 168.36 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.64000000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.552 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -138.04 56.82 11.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.93999999999999995 110.36 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.831 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.97 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.592 1.838 . . . . 0.60999999999999999 110.983 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -175.78 43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.71999999999999997 109.243 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -37.7 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 2.52 110.345 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . 38.95 34.64 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.84999999999999998 110.998 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -67.38 97.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.011 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 9.7 mt-10 -105.49 126.79 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 1.9399999999999999 110.383 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.93 -39.4 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.88 111.016 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 0.807 . . . . 1.9099999999999999 109.27 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -73.02 140.04 80.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.8600000000000001 109.37 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.05 141.11 26.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.586 1.835 . . . . 1.8100000000000001 110.968 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.2 -51.71 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.191 . . . . 0.89000000000000001 109.305 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -155.23 154.66 32.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 2.3999999999999999 109.324 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -85.04 147.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.76000000000000001 109.31 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -124.9 153.9 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.8500000000000001 110.315 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.5 mt -149.33 146.63 27.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.93000000000000005 109.24 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 51.0 m-70 -137.13 159.62 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.606 ' HE2' HD13 ' A' ' 93' ' ' ILE . 11.3 m-85 -155.2 110.96 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 3.1299999999999999 111.024 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.643 ' H ' HG21 ' A' ' 5' ' ' VAL . 72.7 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 2.5899999999999999 109.978 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.935 -0.866 . . . . 1.3600000000000001 110.935 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.32 174.34 9.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 0.91000000000000003 109.325 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -154.69 125.4 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 3.0499999999999998 109.291 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.101 HD13 HG22 ' A' ' 81' ' ' VAL . 26.6 tp -93.47 141.44 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.1499999999999999 109.292 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.577 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.4 m -141.61 144.04 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.68999999999999995 109.243 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -104.32 97.97 7.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.8100000000000001 111.007 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -108.51 59.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.93999999999999995 110.466 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 2.9900000000000002 109.28 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.528 0.204 . . . . 3.3300000000000001 111.033 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.32 139.02 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 1.1599999999999999 109.266 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 ' H ' ' A' ' 54' ' ' LYS . 1.4 p -119.53 173.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 1.22 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' H ' HG22 ' A' ' 53' ' ' VAL . 3.1 tttp -98.29 126.54 43.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.8200000000000003 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.95 174.21 14.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.80000000000000004 109.225 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.47 150.69 46.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.78000000000000003 109.244 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.637 HG12 HG13 ' A' ' 68' ' ' ILE . 3.8 m -111.1 132.7 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 2.04 109.278 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -148.22 136.57 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0900000000000001 110.057 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.94999999999999996 111.002 -179.939 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.277 -0.638 . . . . 3.5899999999999999 109.277 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -104.49 117.14 33.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.1100000000000001 110.349 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.478 ' HB3' HD12 ' A' ' 23' ' ' LEU . 3.3 tpp -101.81 155.93 17.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.1799999999999999 111.019 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 13.7 t -148.57 110.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.73 109.317 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.637 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -87.07 127.58 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.81000000000000005 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.81 109.45 15.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.79000000000000004 110.343 -179.886 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.02 136.3 20.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.76000000000000001 111.006 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.92000000000000004 109.321 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 152.11 40.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.05 109.958 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.47 26.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.93999999999999995 110.984 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD21 HD21 ' A' ' 38' ' ' LEU . 30.6 mt -91.23 116.74 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.70999999999999996 109.275 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -95.91 175.04 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.84999999999999998 110.379 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -48.32 174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.84999999999999998 109.319 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -145.12 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.56000000000000005 110.974 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.599 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.8 m -145.23 145.55 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.81999999999999995 110.421 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 78' ' ' THR . 3.0 m-85 -146.09 170.24 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.77 111.037 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -143.15 109.82 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.313 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.101 HG22 HD13 ' A' ' 38' ' ' LEU . 22.0 t -86.88 112.29 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.72999999999999998 109.3 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -95.29 121.34 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 1.9399999999999999 109.305 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.526 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.6 p-90 -110.23 150.74 28.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.84999999999999998 107.971 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 3.6800000000000002 110.315 -179.976 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.606 HD13 ' HE2' ' A' ' 25' ' ' PHE . 1.2 mp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.257 -0.646 . . . . 3.5699999999999998 109.257 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.3 p -103.01 136.81 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.96999999999999997 110.423 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.526 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.74 170.06 42.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.70999999999999996 111.02 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -148.98 150.52 33.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 0.815 . . . . 1.1399999999999999 110.025 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.831 HG21 ' CG ' ' A' ' 9' ' ' PRO . 4.5 t -124.33 115.01 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.64000000000000001 109.286 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 t -87.97 142.33 27.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.379 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 79' ' ' TYR . 37.2 p90 -151.27 149.5 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.8100000000000001 111.0 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 4.9 mtpm? -104.24 159.93 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 3.5800000000000001 109.311 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 17' ' ' ALA . 34.9 t -134.28 124.48 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.69999999999999996 109.31 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 3.02 109.294 -179.982 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.349 -0.612 . . . . 1.3400000000000001 109.349 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.67 ' N ' HD22 ' A' ' 4' ' ' LEU . 14.4 t -50.27 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.78000000000000003 109.297 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -146.98 147.97 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.59999999999999998 110.042 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.927 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.8 p -156.44 166.02 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.34000000000000002 109.999 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.54 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 97.0 m -137.1 57.56 15.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.58999999999999997 110.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.808 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.02 -63.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.767 . . . . 0.62 110.979 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.96 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.75 109.269 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.731 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -46.4 109.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 2.2999999999999998 110.296 179.89 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 34.15 65.15 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.453 1.096 . . . . 1.54 110.977 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.81 132.38 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 2.8300000000000001 109.986 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -99.42 140.84 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 3.3399999999999999 110.3 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.29 -123.92 0.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 2.21 111.013 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 176.63 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 4.75 109.316 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.681 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 62.24 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 3.6099999999999999 109.246 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.572 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.97 -172.97 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 2.5299999999999998 110.956 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -70.07 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.82999999999999996 109.333 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.21 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 3.21 109.331 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -103.27 142.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.78000000000000003 109.278 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -108.11 145.75 33.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 1.8600000000000001 110.306 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -148.06 144.76 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.77000000000000002 109.376 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' LYS . 58.3 m-70 -141.79 136.43 30.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.02 109.605 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.721 ' CE1' HD23 ' A' ' 4' ' ' LEU . 92.2 m-85 -143.09 77.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.48 110.998 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 3.4500000000000002 110.004 180.0 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.993 -0.843 . . . . 1.01 110.993 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.506 ' HB3' HG21 ' A' ' 57' ' ' VAL . . . -155.23 165.47 36.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.69999999999999996 109.261 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -151.7 116.83 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 2.2799999999999998 109.349 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.028 HD13 HG22 ' A' ' 81' ' ' VAL . 17.7 tp -86.96 135.54 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.60999999999999999 109.302 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.508 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.7 m -133.06 134.88 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.63 109.278 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.9 97.02 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.95 110.965 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -111.83 59.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.91000000000000003 110.368 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 2.0299999999999998 109.358 179.956 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.589 0.233 . . . . 2.8999999999999999 111.02 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.74 147.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.81000000000000005 109.335 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.7 p -113.63 156.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.81000000000000005 109.29 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.57 61.0 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.34 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -90.4 174.34 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.92000000000000004 109.304 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.83 142.7 30.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.91000000000000003 109.265 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 HG13 ' A' ' 68' ' ' ILE . 41.2 t -108.37 121.38 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 3.02 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -114.33 174.26 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.071 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 1.1799999999999999 111.004 179.963 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 8.7 ptpt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.307 -0.627 . . . . 2.48 109.307 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -115.61 121.47 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.27 110.422 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -131.47 147.21 52.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 1.3999999999999999 110.958 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.52 126.52 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.8899999999999999 109.278 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -94.55 121.33 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.76000000000000001 109.255 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.84 103.37 15.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.57999999999999996 110.364 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.12 134.77 18.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.601 1.843 . . . . 0.64000000000000001 110.904 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.89 81.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.79000000000000004 109.321 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.17 145.93 30.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.03 109.944 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.72999999999999998 110.964 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.572 HD12 ' HD2' ' A' ' 18' ' ' PRO . 30.7 mt -62.95 115.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.83999999999999997 109.358 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -88.05 165.72 14.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.81999999999999995 110.384 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.84 151.49 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.81999999999999995 109.307 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.6 -152.49 17.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.60999999999999999 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.555 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 48.9 m -130.94 148.39 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.1000000000000001 110.44 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 11.4 m-85 -143.15 162.58 35.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.608 1.192 . . . . 1.75 110.956 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -130.88 120.79 24.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 4.4000000000000004 109.321 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.028 HG22 HD13 ' A' ' 38' ' ' LEU . 77.7 t -96.64 103.56 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.58999999999999997 109.311 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.67 104.72 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.75 109.243 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 4' ' ' LEU . 23.6 p-90 -102.08 160.4 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.64000000000000001 108.023 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.845 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 4.7400000000000002 110.296 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.7 pt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.332 -0.618 . . . . 3.21 109.332 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.845 HG22 ' HG2' ' A' ' 84' ' ' ARG . 76.9 p -119.02 165.02 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.93999999999999995 110.412 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.54 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.9 165.18 35.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.55000000000000004 110.965 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.21 142.35 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.90000000000000002 109.991 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.808 HG11 ' HG2' ' A' ' 9' ' ' PRO . 97.5 t -134.33 103.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.309 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.44 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 7.5 t -84.69 140.18 31.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.45000000000000001 110.401 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.4 p90 -149.76 160.44 43.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 110.928 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.12 165.48 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 2.27 109.358 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 17' ' ' ALA . 4.4 t -148.68 118.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.75 109.284 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.4 mttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 4.6100000000000003 109.294 179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.345 -0.613 . . . . 1.26 109.345 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.519 ' N ' HD22 ' A' ' 4' ' ' LEU . 60.5 t -50.77 -79.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.97999999999999998 109.283 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.604 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -152.21 145.72 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.91000000000000003 109.956 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.925 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.2 p -156.38 165.88 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.42999999999999999 110.019 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 55.0 m -141.09 58.99 9.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.57999999999999996 110.394 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.03 -71.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.516 1.798 . . . . 0.46000000000000002 111.011 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.584 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.08 43.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.45000000000000001 109.362 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.27 107.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.77 110.318 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.52 37.95 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.70999999999999996 111.033 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.501 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -70.17 95.27 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 0.757 . . . . 1.25 110.013 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 13.2 mt-10 -104.82 127.74 52.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 2.0099999999999998 110.367 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.99 -48.33 0.72 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.088 . . . . 0.97999999999999998 111.058 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.44 168.64 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 1.8200000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -80.21 137.41 52.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.46 109.329 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.524 1.802 . . . . 1.1200000000000001 111.013 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.05 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.76000000000000001 109.249 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 152.71 30.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.497 1.123 . . . . 3.2599999999999998 109.324 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -87.73 139.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.42999999999999999 109.293 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 tt0 -116.7 149.56 39.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.72 110.354 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.925 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.5 mt -148.03 147.72 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.56000000000000005 109.26 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.443 ' O ' HD23 ' A' ' 4' ' ' LEU . 64.6 m-70 -145.14 147.24 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.05 109.521 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -151.91 99.97 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 2.73 111.05 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.49 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.8999999999999999 109.982 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 1.05 110.999 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.56 153.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.87 109.268 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -155.0 122.95 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 3.3399999999999999 109.396 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 81' ' ' VAL . 14.7 tp -94.86 131.08 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.66000000000000003 109.243 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 52' ' ' ALA . 31.3 m -132.49 133.31 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.83999999999999997 109.309 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.57 95.93 10.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 2.1099999999999999 110.977 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 41' ' ' THR . 4.7 t -108.69 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.94999999999999996 110.444 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 2.3199999999999998 109.269 -179.96 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.508 0.194 . . . . 2.27 110.976 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -88.59 145.59 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.83999999999999997 109.288 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.52 130.3 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.1699999999999999 109.268 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -58.13 103.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.71 109.337 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.05 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.65000000000000002 109.365 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.14 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.84999999999999998 109.302 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HG13 ' A' ' 68' ' ' ILE . 9.3 m -114.66 123.94 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.3100000000000001 109.332 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -132.78 176.31 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.1799999999999999 110.007 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.85999999999999999 110.976 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.295 -0.632 . . . . 2.2400000000000002 109.295 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.435 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 2.1 m -110.52 122.41 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.78000000000000003 110.426 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -114.47 158.82 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.4199999999999999 110.934 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 1.8 p -156.27 126.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 2.4300000000000002 109.284 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -99.8 130.82 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.59999999999999998 109.301 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.61 115.95 14.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.54000000000000004 110.39 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.547 1.814 . . . . 0.60999999999999999 111.02 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.11 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 109.284 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 158.98 31.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.82999999999999996 110.039 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.78000000000000003 111.026 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 73.6 mt -72.75 118.79 16.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.65000000000000002 109.308 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.8 p -92.36 175.45 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.84999999999999998 110.414 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.689 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.77 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.1000000000000001 109.232 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.03 -146.38 18.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.60999999999999999 110.995 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.504 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 62.6 m -144.72 145.18 31.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.93000000000000005 110.388 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.6 m-85 -140.7 164.73 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.9099999999999999 111.012 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 110.35 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 2.8300000000000001 109.227 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 38' ' ' LEU . 42.4 t -85.71 103.05 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.32 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 111.84 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 2.1499999999999999 109.25 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.559 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.7 p-90 -110.13 159.18 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.58999999999999997 108.026 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' HG22 ' A' ' 94' ' ' THR . 7.2 mtt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.0800000000000001 110.292 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 pt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.28 -0.637 . . . . 3.21 109.28 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.552 HG22 ' HD3' ' A' ' 84' ' ' ARG . 20.1 p -86.74 141.03 29.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.05 110.404 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.559 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -140.12 164.68 26.14 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.457 1.098 . . . . 0.59999999999999998 111.055 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.39 142.17 25.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.376 0.692 . . . . 0.87 109.974 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' A' ' 9' ' ' PRO . 55.0 t -129.29 101.04 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.63 109.323 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -85.09 145.71 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.68000000000000005 110.349 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.5 p90 -153.27 153.8 33.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 111.024 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.3 mtpt -106.16 157.03 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 2.3500000000000001 109.296 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 76' ' ' ALA . 94.8 t -137.65 118.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.57999999999999996 109.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 2.73 109.337 179.922 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.339 -0.615 . . . . 1.05 109.339 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 ' H ' ' A' ' 26' ' ' SER . 98.8 t -60.85 -81.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 1.03 109.274 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.542 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -136.28 147.65 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.57999999999999996 109.987 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.836 ' HB2' HD23 ' A' ' 23' ' ' LEU . 78.3 p -156.48 168.23 28.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.40999999999999998 110.037 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 31.4 m -139.84 57.05 8.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.73999999999999999 110.424 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.872 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.91 -56.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.90000000000000002 111.018 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 165.21 43.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.54000000000000004 109.279 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.29 103.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.6600000000000001 110.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.9 34.74 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.89000000000000001 110.945 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.495 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.32 97.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 1.4299999999999999 109.992 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -109.88 120.7 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.9199999999999999 110.344 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.37 -39.98 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.1899999999999999 110.998 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.45 148.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 2.04 109.3 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.657 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -72.57 136.41 80.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.9199999999999999 109.298 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.73 40.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 1.5900000000000001 110.931 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.47 109.318 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.91 161.69 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.3900000000000001 109.285 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -85.37 139.2 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 109.307 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 7' ' ' SER . 2.0 tt0 -115.99 151.6 35.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.71 110.285 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.4 mt -147.75 143.87 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.02 109.305 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.583 ' O ' HD23 ' A' ' 4' ' ' LEU . 36.6 m-70 -137.85 158.3 44.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.78000000000000003 109.66 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.6 m-85 -155.01 116.98 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.3900000000000001 110.986 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.722 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 1.99 109.961 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.968 -0.853 . . . . 1.71 110.968 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.76 175.14 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 1.02 109.269 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -155.18 128.4 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.27 109.295 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -100.63 132.28 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.88 109.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -125.55 127.3 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 1.05 109.286 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 20.7 ttt -86.84 96.86 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 111.021 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.95 59.84 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.3300000000000001 110.444 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 2.4399999999999999 109.279 -179.955 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.481 0.182 . . . . 2.6000000000000001 111.011 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.8 141.38 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.2 109.356 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.513 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.69 153.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 1.22 109.277 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 111.12 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 3.1000000000000001 109.32 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -133.13 175.04 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.1499999999999999 109.302 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.93 141.93 40.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.46 129.29 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 2.2599999999999998 109.294 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -143.77 134.43 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.45 110.009 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 1.3999999999999999 110.987 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.359 -0.608 . . . . 2.0299999999999998 109.359 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.494 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -104.26 133.16 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.47 110.454 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.419 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -109.96 160.08 16.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 2.02 110.972 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 46.8 t -149.69 116.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.8100000000000001 109.3 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 121.44 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.1000000000000001 109.288 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.04 109.84 31.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.28 110.366 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.71 19.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.547 1.814 . . . . 1.05 110.978 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.3 61.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.29 109.344 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 149.93 37.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.4399999999999999 110.007 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.4 17.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.813 . . . . 1.3700000000000001 110.977 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.6 mt -84.11 117.31 23.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.75 109.281 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.3 p -97.26 175.42 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.083 . . . . 0.75 110.368 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -54.86 171.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.83999999999999997 109.322 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.66 -159.15 13.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.70999999999999996 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 29.0 m -118.18 146.59 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.89000000000000001 110.362 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 40' ' ' MET . 36.7 m-85 -145.92 157.21 43.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.8200000000000001 111.046 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.22 113.14 12.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 5.04 109.319 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 21' ' ' ILE . 57.9 t -92.13 109.78 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.66000000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.62 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8500000000000001 109.248 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 37.7 p-90 -104.51 150.61 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.82999999999999996 108.082 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 3.4100000000000001 110.261 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.5 mm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.318 -0.623 . . . . 3.1099999999999999 109.318 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 p -113.69 149.74 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.3600000000000001 110.4 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -154.0 153.19 24.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.80000000000000004 110.989 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 142.35 30.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 0.8 . . . . 1.4199999999999999 110.001 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -137.12 105.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.64000000000000001 109.343 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -84.67 144.25 28.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.81000000000000005 110.422 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 23.6 p90 -159.8 149.85 18.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.8 110.967 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -102.66 167.55 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 2.4199999999999999 109.342 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' H ' ' A' ' 17' ' ' ALA . 26.0 t -139.18 123.16 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.93000000000000005 109.321 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.7200000000000002 109.275 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.671 HD11 ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.259 -0.645 . . . . 1.54 109.259 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.778 HG21 ' H ' ' A' ' 26' ' ' SER . 91.9 t -51.94 -68.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.72999999999999998 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.13 148.41 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.56000000000000005 109.982 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.936 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.2 p -156.87 167.46 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.41999999999999998 109.997 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 8' ' ' THR . 7.6 m -138.04 57.1 12.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.97999999999999998 110.398 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.825 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.05 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.5 110.994 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 178.75 44.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.52000000000000002 109.253 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.15 104.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 2.77 110.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.63 37.07 0.5 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.514 1.134 . . . . 0.72999999999999998 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.6 95.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 0.733 . . . . 1.25 110.014 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -105.46 121.6 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 1.8899999999999999 110.299 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.99 -40.5 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.1 . . . . 0.89000000000000001 111.021 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.77 162.05 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.8500000000000001 109.282 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -84.4 139.88 38.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 1.6100000000000001 109.265 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.05 164.82 32.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 1.24 110.989 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.12 -49.5 67.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.81999999999999995 109.264 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -155.42 152.63 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.525 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.84 142.22 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.5 109.249 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -117.03 151.42 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.394 1.059 . . . . 1.77 110.299 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.3 mt -147.65 141.37 25.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.47999999999999998 109.287 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -134.06 158.65 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.53000000000000003 109.53 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.9 m-85 -155.67 130.72 9.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 1.96 110.974 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.778 ' H ' HG21 ' A' ' 5' ' ' VAL . 12.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 1.95 109.967 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.054 -0.818 . . . . 0.83999999999999997 111.054 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.75 161.8 40.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.723 . . . . 0.82999999999999996 109.329 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.03 124.74 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 2.5099999999999998 109.324 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 79' ' ' TYR . 5.3 tp -97.38 130.3 44.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.69999999999999996 109.253 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.73 ' N ' HD12 ' A' ' 38' ' ' LEU . 10.4 m -128.15 134.66 64.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.355 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.05 94.38 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.78 110.916 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -105.76 60.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 1.03 110.384 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 2.1000000000000001 109.273 -179.965 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.466 0.174 . . . . 2.77 110.955 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.09 139.43 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.1 p -101.44 167.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.94999999999999996 109.292 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -92.79 111.33 22.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 3.5699999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.62 174.58 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.66000000000000003 109.263 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.58 144.49 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.64000000000000001 109.294 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -109.78 126.29 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 2.1000000000000001 109.299 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.541 ' O ' HG12 ' A' ' 67' ' ' VAL . 13.0 m -143.35 151.41 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.5600000000000001 109.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 1.1699999999999999 111.0 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.292 -0.633 . . . . 3.48 109.292 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -107.55 119.31 39.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.76000000000000001 110.431 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.93 159.3 15.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 1.5600000000000001 111.032 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' SER . 7.3 p -153.34 124.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 2.8599999999999999 109.277 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.722 HG13 HG12 ' A' ' 57' ' ' VAL . 1.1 mp -101.18 123.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.56999999999999995 109.351 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.08 112.36 33.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.75 110.41 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.07 136.17 19.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.73999999999999999 110.967 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.57 -21.84 55.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.77000000000000002 109.296 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.06 152.45 46.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.87 109.991 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.546 1.814 . . . . 0.72999999999999998 110.995 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 22.5 mt -74.84 116.8 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.56000000000000005 109.325 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.0 p -88.51 172.08 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.88 110.449 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.07 161.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.71999999999999997 109.32 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.72 -154.58 18.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.58999999999999997 110.974 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.9 m -132.33 135.13 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.65000000000000002 110.342 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -136.61 153.93 50.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 2.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 0.2 OUTLIER -122.12 114.24 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 3.2400000000000002 109.284 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.648 HG22 HD13 ' A' ' 38' ' ' LEU . 70.8 t -91.76 98.05 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.66000000000000003 109.302 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.31 117.86 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.74 109.329 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 33.3 p-90 -114.65 156.11 25.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.66000000000000003 108.046 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 4.04 110.307 179.997 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.644 . . . . 2.5800000000000001 109.26 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.7 p -109.85 137.33 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.1299999999999999 110.34 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.82 159.93 29.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.63 110.978 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -143.36 166.79 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.72999999999999998 109.976 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.825 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.7 t -146.45 103.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.39000000000000001 109.262 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -84.74 142.23 29.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.54000000000000004 110.408 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 20.6 p90 -152.45 145.5 24.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.72 110.954 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -102.47 162.15 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 2.46 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 91.2 t -136.19 122.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.56999999999999995 109.34 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 3.4300000000000002 109.298 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.269 -0.641 . . . . 1.52 109.269 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.57 HG21 ' H ' ' A' ' 26' ' ' SER . 16.2 t -59.45 -78.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 1.3799999999999999 109.287 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.558 ' N ' HD22 ' A' ' 4' ' ' LEU . 9.3 m -142.52 154.31 44.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.87 109.974 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.939 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.2 p -157.93 165.58 34.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.413 1.071 . . . . 0.60999999999999999 110.019 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 8' ' ' THR . 5.3 m -137.7 58.35 16.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.82999999999999996 110.458 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.96 -69.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.42999999999999999 111.027 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 13' ' ' SER . . . 178.14 44.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.51000000000000001 109.296 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.592 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -41.49 105.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 2.6200000000000001 110.31 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.34 39.68 2.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.73999999999999999 110.97 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.587 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 3.2 t -71.96 98.72 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 2.2999999999999998 109.989 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -108.95 125.44 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.1899999999999999 110.224 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.54 -45.07 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 1.1399999999999999 110.995 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.92 157.77 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 0.751 . . . . 2.0099999999999998 109.312 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -78.65 137.49 58.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.9199999999999999 109.292 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 157.65 42.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.434 1.755 . . . . 1.3700000000000001 111.07 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . . . -55.08 -53.89 50.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.76000000000000001 109.369 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.755 ' HE2' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.87 156.77 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.347 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.65 142.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.59999999999999998 109.301 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.7 mt-10 -116.65 150.1 38.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 110.332 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.939 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -147.61 144.31 28.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.56000000000000005 109.316 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.613 ' O ' HD23 ' A' ' 4' ' ' LEU . 70.0 m-70 -134.83 157.41 46.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.80000000000000004 109.624 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 4' ' ' LEU . 10.8 m-85 -155.33 108.14 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 2.4900000000000002 111.01 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.57 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.1800000000000002 110.043 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.01 -0.836 . . . . 0.88 111.01 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.56 174.21 11.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 0.85999999999999999 109.325 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.66 127.06 8.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 2.23 109.362 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 81' ' ' VAL . 13.5 tp -95.22 131.37 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.91000000000000003 109.323 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 80' ' ' LYS . 34.0 m -127.55 137.6 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.92000000000000004 109.286 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -93.15 94.68 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.6699999999999999 111.015 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 41' ' ' THR . 13.9 t -98.78 59.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.22 110.432 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 2.3300000000000001 109.274 -179.998 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.514 0.197 . . . . 3.2999999999999998 110.969 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 143.4 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.3100000000000001 109.327 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.79 166.26 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 1.46 109.298 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -100.32 92.96 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 4.4500000000000002 109.354 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -121.49 175.24 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.03 109.35 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.66 150.79 52.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 109.299 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.91 123.45 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.9399999999999999 109.295 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 m -131.22 175.65 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.22 110.068 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.91000000000000003 111.053 179.963 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.253 -0.647 . . . . 2.2799999999999998 109.253 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -95.89 123.85 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.68000000000000005 110.397 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 mpp? -109.34 162.63 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.53 110.952 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 8.4 p -156.02 122.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 2.54 109.34 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -96.45 126.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.71999999999999997 109.313 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.11 112.13 17.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.88 110.338 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.02 135.56 19.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.89000000000000001 110.968 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.73 73.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 1.23 109.309 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.3 155.4 36.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.1899999999999999 110.056 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.31 24.32 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 1.25 111.061 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 38' ' ' LEU . 28.7 mt -85.1 116.25 23.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.77000000000000002 109.311 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -91.09 174.53 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.1399999999999999 110.429 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -59.35 160.95 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 1.0900000000000001 109.256 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -143.52 14.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0900000000000001 111.023 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.489 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 49.0 m -133.95 141.77 47.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 1.1799999999999999 110.484 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 30.1 m-85 -144.21 154.85 43.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 2.29 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -133.49 114.33 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 3.1800000000000002 109.252 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.796 HG22 HD13 ' A' ' 38' ' ' LEU . 31.7 t -92.79 103.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.68999999999999995 109.34 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -91.66 117.76 30.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.77 109.274 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.572 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 23.6 p-90 -115.22 153.49 30.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.955 -1.128 . . . . 0.77000000000000002 107.955 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.649 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 4.9199999999999999 110.292 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.294 -0.632 . . . . 3.5699999999999998 109.294 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.649 HG22 ' HG2' ' A' ' 84' ' ' ARG . 64.6 p -138.77 148.38 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 1.6100000000000001 110.328 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 162.41 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 1.02 110.966 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.41 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -140.06 149.79 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.04 109.992 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.743 HG21 ' HG2' ' A' ' 9' ' ' PRO . 86.3 t -130.48 99.49 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.76000000000000001 109.297 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 t -84.7 145.9 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.88 110.45 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.8 p90 -157.04 152.79 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.9199999999999999 111.043 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.35 161.26 15.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 3.9900000000000002 109.307 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 17' ' ' ALA . 92.7 t -134.28 127.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.1200000000000001 109.293 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 3.1000000000000001 109.346 179.972 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.292 -0.632 . . . . 1.6899999999999999 109.292 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' ' 4' ' ' LEU . 93.1 t -56.92 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.71999999999999997 109.328 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.468 ' O ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -142.05 151.28 42.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.55000000000000004 109.975 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.819 ' HB2' HD23 ' A' ' 23' ' ' LEU . 53.9 p -157.56 167.02 31.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.48999999999999999 109.985 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.0 m -136.49 58.62 21.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.77000000000000002 110.458 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.772 . . . . 0.5 110.997 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 175.21 45.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.619 1.2 . . . . 0.51000000000000001 109.299 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.08 110.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 3.2000000000000002 110.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 37.57 37.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.70999999999999996 111.039 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -74.83 100.87 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.22 109.973 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.62 116.41 31.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 2.1200000000000001 110.312 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.95 -42.86 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.89000000000000001 110.975 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.21 165.55 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 1.8799999999999999 109.247 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.7 138.61 35.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.78 109.257 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 139.98 24.85 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.516 1.798 . . . . 1.5900000000000001 110.989 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.48 -43.92 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.1899999999999999 109.311 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 149.43 25.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 2.27 109.254 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.547 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -89.08 140.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.5 109.312 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 mt-10 -107.94 150.46 27.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 2.02 110.319 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.819 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -146.64 142.79 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.65000000000000002 109.31 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.533 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.9 m-70 -136.31 156.84 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.68999999999999995 109.617 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 18.7 m-85 -155.19 95.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 2.1000000000000001 111.09 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 2.0699999999999998 109.932 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.01 -0.836 . . . . 1.3300000000000001 111.01 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 162.02 36.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.92000000000000004 109.316 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -154.92 126.23 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 2.5099999999999998 109.348 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.927 HD13 HG22 ' A' ' 81' ' ' VAL . 13.7 tp -97.67 129.74 44.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.1799999999999999 109.236 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.2 m -113.59 143.66 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.23 109.328 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -97.45 97.06 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 2.5499999999999998 111.033 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.449 HG21 ' HD3' ' A' ' 80' ' ' LYS . 2.8 t -109.56 60.53 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.4199999999999999 110.417 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 2.1400000000000001 109.345 179.992 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.492 0.187 . . . . 3.2599999999999998 111.035 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.97 145.58 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.1799999999999999 109.281 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' LEU . 1.7 p -110.42 158.84 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.1599999999999999 109.349 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.22 116.91 25.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 4.5499999999999998 109.251 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.4 175.02 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.96999999999999997 109.302 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.65 138.02 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.1699999999999999 109.255 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.22 126.75 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 2.2599999999999998 109.341 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -132.39 175.78 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.4299999999999999 110.002 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.92000000000000004 110.907 -179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.3 -0.63 . . . . 3.3799999999999999 109.3 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 24' ' ' HIS . 1.2 m -117.97 132.36 56.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.78000000000000003 110.398 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.21 167.54 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.4399999999999999 110.942 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' ILE . 8.7 p -156.19 137.52 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 2.6200000000000001 109.329 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -106.17 123.38 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.552 1.157 . . . . 0.5 109.316 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.48 107.94 23.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.90000000000000002 110.384 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.04 134.78 18.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.80000000000000004 111.003 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.68 61.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 1.3600000000000001 109.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.73 152.38 44.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.01 110.028 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.2 21.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.572 1.827 . . . . 1.1200000000000001 111.008 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mt -88.24 117.53 27.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.67000000000000004 109.289 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -95.25 167.21 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.75 110.36 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -46.38 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.592 1.183 . . . . 0.72999999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.86 -156.2 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.58999999999999997 110.987 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.4 m -128.53 141.27 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.72999999999999998 110.336 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.0 m-85 -142.32 163.14 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 2.02 110.952 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -134.85 115.59 13.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 5.29 109.317 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.927 HG22 HD13 ' A' ' 38' ' ' LEU . 38.6 t -91.17 104.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.66000000000000003 109.29 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -98.28 109.94 22.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 2.0899999999999999 109.293 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.522 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 61.3 p-90 -105.55 155.74 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.78000000000000003 107.962 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 3.7599999999999998 110.308 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.26 -0.644 . . . . 2.7400000000000002 109.26 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.643 HG22 ' CG ' ' A' ' 84' ' ' ARG . 71.4 p -131.04 168.48 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.84999999999999998 110.39 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -168.69 160.5 34.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.69999999999999996 111.031 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.52 150.88 37.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 1.04 110.0 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -142.7 100.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.312 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -85.69 137.95 32.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.64000000000000001 110.367 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.87 152.9 33.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.427 1.079 . . . . 1.79 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -107.33 162.12 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.273 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.8 t -136.73 121.0 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.57999999999999996 109.311 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 2.4300000000000002 109.307 179.998 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.862 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.299 -0.63 . . . . 1.46 109.299 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.64 HG11 ' H ' ' A' ' 26' ' ' SER . 47.8 t -54.03 -81.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.568 1.168 . . . . 1.4399999999999999 109.353 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -145.42 142.78 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.96999999999999997 109.994 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.862 ' HB2' HD23 ' A' ' 23' ' ' LEU . 72.9 p -155.98 167.66 29.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.47999999999999998 109.972 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' HG22 ' A' ' 8' ' ' THR . 2.7 m -135.85 57.31 18.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.72999999999999998 110.446 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.94 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.55000000000000004 110.966 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.73999999999999999 109.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -42.41 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 3.29 110.295 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 33.37 60.8 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 1.22 111.048 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.36 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 2.3399999999999999 109.978 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -101.78 128.92 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.2200000000000002 110.318 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.03 -115.41 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.74 111.0 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.43 76.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 4.6600000000000001 109.259 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . 68.8 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.7999999999999998 109.367 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.98 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 2.3500000000000001 110.987 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.95999999999999996 109.349 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 164.37 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 2.5699999999999998 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.578 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -103.88 137.29 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.05 109.279 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -104.9 149.01 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.6699999999999999 110.354 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.8 mt -147.9 143.67 27.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.83999999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 38.7 m-70 -141.26 165.79 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.78000000000000003 109.564 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -155.39 102.66 2.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.0899999999999999 110.975 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.64 ' H ' HG11 ' A' ' 5' ' ' VAL . 30.0 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.6399999999999999 110.006 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.056 -0.818 . . . . 0.93000000000000005 111.056 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.51 160.16 40.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 0.794 . . . . 0.79000000000000004 109.293 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -154.9 128.03 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 2.5499999999999998 109.33 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 39' ' ' VAL . 7.8 tp -89.68 130.47 35.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.83999999999999997 109.365 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.589 ' N ' HD12 ' A' ' 38' ' ' LEU . 11.2 m -126.88 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.75 109.319 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -93.39 94.94 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.6399999999999999 111.042 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 41' ' ' THR . 13.3 t -102.54 59.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.93000000000000005 110.348 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 2.0099999999999998 109.32 179.962 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtp . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.518 0.199 . . . . 2.5699999999999998 110.989 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 141.77 57.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.1200000000000001 109.307 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.432 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 2.8 p -113.54 137.8 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.4099999999999999 109.277 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.6 91.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 3.1899999999999999 109.316 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -118.58 175.16 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.1100000000000001 109.356 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.68 139.18 43.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.4199999999999999 109.282 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -105.59 117.96 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 2.9100000000000001 109.264 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -113.2 174.24 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 1.3899999999999999 109.951 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.97999999999999998 111.03 179.973 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.321 -0.622 . . . . 2.8100000000000001 109.321 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' HE2' ' A' ' 66' ' ' MET . 2.5 m -104.17 117.08 33.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 1.05 110.36 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.445 ' HE2' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -122.79 151.25 41.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 1.25 111.003 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.16 118.15 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.8300000000000001 109.291 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -88.53 123.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.04 109.359 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.4 101.36 13.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.01 110.409 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 1.02 110.922 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.02 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.3799999999999999 109.328 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.88 147.49 33.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.1599999999999999 109.998 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.65 10.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.438 1.757 . . . . 1.1200000000000001 110.954 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.716 HD12 ' HD2' ' A' ' 18' ' ' PRO . 25.1 mt -64.13 117.54 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.88 109.297 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -87.08 160.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.76000000000000001 110.427 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.99 151.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.81999999999999995 109.311 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.95 -160.53 23.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.108 . . . . 0.56999999999999995 110.971 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 44.7 m -124.96 137.9 54.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.63 110.373 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 m-85 -141.36 173.31 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 1.79 111.015 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -153.49 120.41 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 2.8799999999999999 109.319 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 38' ' ' LEU . 75.6 t -84.96 107.48 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.87 109.316 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.39 118.26 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 2.3199999999999998 109.324 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.582 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 19.2 p-90 -116.85 149.2 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.57999999999999996 107.99 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.849 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 2.8399999999999999 110.348 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.292 -0.633 . . . . 2.6499999999999999 109.292 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.849 HG22 ' HG2' ' A' ' 84' ' ' ARG . 25.0 p -121.63 142.38 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 1.1299999999999999 110.412 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.19 164.09 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.986 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.66 149.91 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.81000000000000005 109.971 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 9' ' ' PRO . 15.9 t -126.36 106.82 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.46999999999999997 109.305 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.6 t -87.79 135.33 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.44 110.346 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.8 p90 -146.77 160.65 41.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 1.8999999999999999 111.024 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 162.06 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 3.9500000000000002 109.281 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 17.0 t -145.53 112.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 109.277 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.5600000000000001 109.362 179.937 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.242 -0.651 . . . . 0.97999999999999998 109.242 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.627 ' N ' HD22 ' A' ' 4' ' ' LEU . 71.1 t -64.91 -84.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.73999999999999999 109.354 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.537 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -133.89 150.4 51.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.65000000000000002 109.98 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.9 p -157.31 165.38 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.47999999999999998 110.035 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.526 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.8 m -136.9 58.3 18.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.63 110.384 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.772 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 -64.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.782 . . . . 0.46999999999999997 110.995 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.46 45.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.70999999999999996 109.298 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.59 109.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 3.0800000000000001 110.346 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.35 53.25 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 1.2 111.015 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.29 116.5 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 1.71 110.041 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -101.84 122.61 44.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 3.0899999999999999 110.276 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.3 -87.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 1.6499999999999999 110.97 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -177.47 -169.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 2.1000000000000001 109.256 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -43.52 109.69 0.83 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 2.8999999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.0 Cg_endo -75.09 -170.62 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 2.1099999999999999 110.996 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.79 -71.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.82999999999999996 109.33 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.72 150.83 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.339 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -86.56 145.86 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.48999999999999999 109.335 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 tt0 -117.05 149.32 40.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 2.3399999999999999 110.277 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -147.85 143.72 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.322 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 61.3 m-70 -134.55 156.97 47.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.646 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 6.5 m-85 -152.91 106.87 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.6899999999999999 111.039 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.609 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 1.55 109.992 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.006 -0.838 . . . . 1.3200000000000001 111.006 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.66 160.26 39.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.71999999999999997 109.313 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.4300000000000002 109.309 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.925 HD12 ' N ' ' A' ' 39' ' ' VAL . 3.0 tp -93.86 137.96 32.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.95999999999999996 109.329 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.925 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.1 m -132.4 134.98 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.56999999999999995 109.328 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 13.2 ttt -88.08 96.28 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 2.5899999999999999 111.008 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -105.0 58.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.077 . . . . 0.95999999999999996 110.415 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 2.0800000000000001 109.285 -179.998 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mmt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.518 0.199 . . . . 2.3599999999999999 111.0 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.46 160.65 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 1.3899999999999999 109.332 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.13 124.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.4299999999999999 109.265 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -52.35 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 3.52 109.332 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -141.48 174.15 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.63 109.288 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.66 145.29 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.371 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 68' ' ' ILE . 9.4 p -92.56 131.2 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 2.23 109.272 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.61 124.66 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.22 109.986 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.93999999999999995 111.026 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.351 -0.611 . . . . 2.6499999999999999 109.351 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.532 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.5 m -108.19 114.87 29.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.84999999999999998 110.447 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.418 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 3.3 tpp -98.85 153.5 18.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 1.8799999999999999 110.944 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 77.4 t -142.66 116.98 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.583 1.177 . . . . 1.72 109.288 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -87.88 122.97 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.5 109.317 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.73 111.32 22.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.60999999999999999 110.354 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.53 1.805 . . . . 0.52000000000000002 111.065 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.41 -17.58 63.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.91000000000000003 109.279 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 149.97 51.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 110.0 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.05 16.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.81000000000000005 110.991 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.658 HD12 ' HD2' ' A' ' 18' ' ' PRO . 31.4 mt -73.05 115.19 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.81000000000000005 109.279 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -84.68 165.65 17.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.69999999999999996 110.376 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -50.28 131.92 24.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.1200000000000001 109.265 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.2 -158.28 27.73 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.586 1.179 . . . . 0.71999999999999997 111.039 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 17.0 m -129.94 138.33 50.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.83999999999999997 110.383 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.884 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.7 m-85 -139.92 173.81 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 1.95 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 114.34 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 2.1800000000000002 109.245 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.773 HG22 ' HB2' ' A' ' 38' ' ' LEU . 64.9 t -85.48 110.24 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.62 109.289 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.32 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.8700000000000001 109.337 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 24.3 p-90 -118.84 152.26 36.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.194 . . . . 0.5 107.949 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 4.1600000000000001 110.365 179.973 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.255 -0.646 . . . . 3.0800000000000001 109.255 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.5 p -89.13 148.29 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.93000000000000005 110.399 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.37 158.74 30.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.46000000000000002 111.028 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 m -144.16 160.48 40.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 0.757 . . . . 0.91000000000000003 109.998 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.772 HG11 ' HG2' ' A' ' 9' ' ' PRO . 7.5 t -138.28 109.8 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.317 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.1 133.59 35.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.54000000000000004 110.449 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -141.23 157.35 45.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.76 110.941 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -106.87 159.36 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 5.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 76' ' ' ALA . 48.9 t -140.3 114.92 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.59999999999999998 109.247 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 2.2400000000000002 109.329 -179.994 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.345 -0.613 . . . . 0.93999999999999995 109.345 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.36 -78.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.81999999999999995 109.277 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.549 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -144.4 151.77 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.64000000000000001 110.019 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.973 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.4 p -156.48 165.24 36.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.35999999999999999 109.99 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.484 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.9 m -138.68 60.51 19.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.72999999999999998 110.425 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -77.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.40999999999999998 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -172.34 47.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.56000000000000005 109.28 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -44.37 103.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 2.25 110.295 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.82 36.89 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.78000000000000003 110.952 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.74 96.6 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.1499999999999999 109.922 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.42 122.26 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.74 110.274 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -52.23 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 0.96999999999999997 110.957 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -166.89 162.22 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 0.722 . . . . 1.8899999999999999 109.271 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.95 140.39 73.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 1.6499999999999999 109.318 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -74.97 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 3.1600000000000001 110.965 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 84.62 -48.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.99 109.278 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.04 27.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 3.6499999999999999 109.243 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -108.98 147.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.52000000000000002 109.324 -179.946 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -117.36 147.99 42.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.4199999999999999 110.321 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.6 mt -148.11 144.81 28.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.51000000000000001 109.308 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 59.6 m-70 -137.43 154.85 49.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.69999999999999996 109.57 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -154.9 164.85 38.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.99 111.012 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3300000000000001 109.956 -179.963 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.85999999999999999 110.973 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -136.55 163.47 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.66000000000000003 109.353 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -155.69 128.77 8.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.7799999999999998 109.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.969 HD13 HG22 ' A' ' 81' ' ' VAL . 59.0 tp -90.92 130.66 36.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0800000000000001 109.313 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 52' ' ' ALA . 35.0 m -129.84 140.86 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.89000000000000001 109.345 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.8 ttm -94.31 95.67 9.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 2.79 111.009 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 41' ' ' THR . 9.5 t -122.54 59.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 1.0600000000000001 110.378 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 2.3500000000000001 109.341 179.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.3 mtp . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.557 0.218 . . . . 3.04 111.019 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.12 138.6 25.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.87 109.255 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG11 HD23 ' A' ' 38' ' ' LEU . 2.7 p -110.36 158.06 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.93000000000000005 109.291 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -79.93 99.47 7.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 4.8099999999999996 109.276 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -143.59 174.86 10.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.75 109.343 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.13 144.99 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.72999999999999998 109.364 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.17 127.13 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 2.1200000000000001 109.308 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -136.25 128.99 30.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 1.4399999999999999 109.963 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 1.3100000000000001 111.06 179.944 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.24 -0.652 . . . . 2.29 109.24 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -93.59 116.07 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.79000000000000004 110.432 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.494 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.08 147.18 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.6699999999999999 110.987 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 11.3 t -145.41 114.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 1.8100000000000001 109.317 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.723 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -84.7 117.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.68000000000000005 109.224 -179.899 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.69 106.02 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.52000000000000002 110.376 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.99 135.06 18.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.527 1.803 . . . . 0.56999999999999995 111.077 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.99 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.87 109.322 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 151.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.04 110.06 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.09 17.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 1.0600000000000001 111.027 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 38' ' ' LEU . 20.4 mt -76.49 116.77 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.1399999999999999 109.28 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -98.1 174.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 1.21 110.356 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.741 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 1.1299999999999999 109.306 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.72 -146.02 18.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.89000000000000001 110.999 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.2 m -154.03 135.98 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 1.23 110.411 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -138.79 174.43 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 2.0699999999999998 111.013 -179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.61 114.72 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 2.54 109.31 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.969 HG22 HD13 ' A' ' 38' ' ' LEU . 16.3 t -85.23 118.57 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.58999999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.75 129.82 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 1.78 109.32 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.466 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.4 p-90 -125.41 159.48 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.947 -1.131 . . . . 0.48999999999999999 107.947 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.7999999999999998 110.267 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 pt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.263 -0.643 . . . . 2.7400000000000002 109.263 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.9 p -84.67 175.03 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 1.1599999999999999 110.429 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 176.82 148.42 7.1 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 0.60999999999999999 111.002 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.49 148.83 44.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.89000000000000001 110.02 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.813 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -131.48 107.78 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.64000000000000001 109.272 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.9 t -86.05 141.62 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.56999999999999995 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -149.84 146.79 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.98 111.016 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -106.08 163.37 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 3.27 109.224 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.7 t -145.87 121.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.78000000000000003 109.289 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.3900000000000001 109.273 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.492 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.587 -0.523 . . . . 10.33 109.587 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.98 134.49 17.91 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 4.7400000000000002 111.024 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.73 153.07 36.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 5.3300000000000001 109.329 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.44 167.87 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.98999999999999999 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 93.9 t -55.49 -77.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.76000000000000001 109.278 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.531 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.9 146.51 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.76000000000000001 110.008 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.968 ' HB2' HD23 ' A' ' 23' ' ' LEU . 31.2 p -156.32 163.13 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.51000000000000001 110.004 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 8' ' ' THR . 2.1 m -136.23 59.03 24.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.75 110.39 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -73.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.42999999999999999 110.978 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.699 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -177.27 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.67000000000000004 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.6 OUTLIER -44.35 101.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 1.122 . . . . 2.3599999999999999 110.293 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.0 41.35 6.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.79000000000000004 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -74.58 93.24 2.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 2.8799999999999999 109.964 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.444 ' CB ' ' HB2' ' A' ' 100' ' ' LYS . 11.2 mt-10 -107.85 129.17 55.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 2.6000000000000001 110.327 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.59 -44.32 0.99 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 1.3899999999999999 110.992 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.76 161.74 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 1.9199999999999999 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 138.38 55.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 1.5 109.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.2 Cg_endo -75.04 -171.41 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 1.3899999999999999 110.981 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.93 -53.63 4.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.71999999999999997 109.329 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -155.27 151.52 28.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 2.5499999999999998 109.334 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.464 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.68 137.41 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.48999999999999999 109.329 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -114.35 148.48 37.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 1.6200000000000001 110.293 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.968 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.83 144.28 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.45000000000000001 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 54.4 m-70 -141.15 147.38 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.87 109.62 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 3.1 m-85 -154.7 129.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 3.0699999999999998 110.996 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.4 m -69.96 -11.78 61.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 1.55 109.986 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -153.81 61.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 4.3200000000000003 110.337 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' LEU . 8.5 t30 -62.24 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 4.6900000000000004 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER 38.79 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 6.3300000000000001 109.307 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.764 HG13 ' HB3' ' A' ' 34' ' ' SER . 55.1 t -64.55 -98.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 5.2999999999999998 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.659 ' N ' HG12 ' A' ' 30' ' ' VAL . 2.0 m 47.6 46.36 17.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 4.7199999999999998 110.364 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.625 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -156.94 -81.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 5.7400000000000002 110.269 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -161.81 26.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 4.4400000000000004 111.035 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.764 ' HB3' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -85.29 146.3 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 1.3600000000000001 109.998 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.55 -161.0 29.74 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 1.0900000000000001 111.052 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.53 152.98 29.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.81999999999999995 109.317 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -155.01 125.04 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 2.3500000000000001 109.297 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.872 HD13 HG22 ' A' ' 81' ' ' VAL . 7.4 tp -95.45 134.03 38.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.62 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.716 ' N ' HD12 ' A' ' 38' ' ' LEU . 5.5 m -129.77 132.23 66.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.66000000000000003 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.523 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -88.88 95.49 10.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 2.5299999999999998 111.03 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -111.05 63.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.93000000000000005 110.407 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' H ' ' HE2' ' A' ' 40' ' ' MET . . . -51.17 179.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 2.1800000000000002 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mtm -37.83 156.81 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 4.7400000000000002 111.008 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.72 2.55 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.475 1.776 . . . . 3.5499999999999998 110.975 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 -47.76 0.18 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.15 . . . . 3.5800000000000001 110.948 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -103.99 66.33 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 5.04 110.991 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 4.0 tt0 41.61 51.64 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 6.5099999999999998 110.257 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 15.0 p-80 47.5 87.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 6.5999999999999996 109.586 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.74 94.81 45.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 2.23 109.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 159.13 41.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 1.3999999999999999 110.96 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.5 131.12 15.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 2.4500000000000002 111.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.73 142.61 54.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 1.04 109.367 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.463 HG11 ' HG ' ' A' ' 38' ' ' LEU . 9.3 p -101.3 161.42 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.89000000000000001 109.258 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -84.02 86.19 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 3.2799999999999998 109.308 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -126.96 175.21 8.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 109.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.21 151.07 43.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.66000000000000003 109.249 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 m -109.17 125.23 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 2.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.8 m -141.32 132.95 27.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 1.1799999999999999 109.996 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.66 154.19 39.62 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.497 1.123 . . . . 0.83999999999999997 111.021 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.54 -142.29 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.025 -0.83 . . . . 2.02 111.025 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.34 -35.84 91.97 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 2.2799999999999998 111.006 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -104.53 152.72 39.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 3.3100000000000001 109.279 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -16.21 20.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.439 1.758 . . . . 1.8200000000000001 111.003 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -88.76 3.77 49.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 2.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.1 m -118.37 122.29 42.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.73999999999999999 110.385 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' LEU . 2.1 tpp -103.08 148.17 26.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 1.25 111.026 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 36.3 t -144.99 108.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 1.6200000000000001 109.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.491 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -86.54 125.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.59999999999999998 109.351 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.94 109.48 15.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.54000000000000004 110.387 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.04 18.61 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.441 1.759 . . . . 0.55000000000000004 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.69 -21.79 63.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.73999999999999999 109.322 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.99 152.3 46.41 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.93999999999999995 109.993 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.47 16.76 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.561 1.822 . . . . 0.95999999999999996 111.021 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -75.65 116.08 15.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.71999999999999997 109.343 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.0 p -84.98 167.28 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.79000000000000004 110.364 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -51.21 164.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.80000000000000004 109.311 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.19 -149.0 17.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.1 . . . . 0.76000000000000001 110.956 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.468 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 70.5 m -132.49 138.97 47.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.97999999999999998 110.405 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.654 ' HB3' HD11 ' A' ' 38' ' ' LEU . 9.0 m-85 -138.05 160.71 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 1.9199999999999999 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -132.87 117.59 17.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 2.79 109.312 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.872 HG22 HD13 ' A' ' 38' ' ' LEU . 47.1 t -97.61 100.55 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.58999999999999997 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.65 126.71 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 1.6200000000000001 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 37.9 p-90 -125.46 157.97 35.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.55000000000000004 108.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HG2' HG22 ' A' ' 94' ' ' THR . 7.0 mtp180 -141.57 119.83 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 4.6200000000000001 110.295 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.18 141.55 46.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.45 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.625 HG11 ' HB3' ' A' ' 32' ' ' GLN . 6.5 p -153.4 129.02 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 3.3900000000000001 109.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 t -89.16 -70.12 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 4.3600000000000003 109.973 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.18 87.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 4.21 109.99 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.718 ' O ' HG22 ' A' ' 90' ' ' THR . 3.4 t0 174.85 44.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 6.5999999999999996 109.299 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.718 HG22 ' O ' ' A' ' 89' ' ' ASP . 15.2 t 49.32 -173.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 4.2300000000000004 110.355 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.15 88.77 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 5.1699999999999999 109.645 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 148.38 35.46 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.767 . . . . 1.72 111.018 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.3 mp -90.17 124.39 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 2.54 109.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 84' ' ' ARG . 58.3 p -109.32 147.49 32.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.81999999999999995 110.408 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.28 153.43 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.56000000000000005 111.01 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.77 143.82 45.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.738 . . . . 0.78000000000000003 109.994 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.735 HG21 ' HG2' ' A' ' 9' ' ' PRO . 70.0 t -125.84 99.6 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.58999999999999997 109.251 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.411 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.5 t -85.0 146.12 27.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.439 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 12.8 p90 -155.59 147.97 23.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 1.8400000000000001 110.964 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.444 ' HB2' ' CB ' ' A' ' 14' ' ' GLU . 58.5 mtpt -102.01 163.07 12.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 2.4500000000000002 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.9 t -138.94 120.83 16.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.311 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 3.3399999999999999 109.29 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.437 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.618 -0.512 . . . . 10.18 109.618 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HB2' HG23 ' A' ' 93' ' ' ILE . 18.5 Cg_endo -74.91 145.52 31.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 5.5300000000000002 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.33 125.66 10.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.576 1.172 . . . . 5.5499999999999998 109.236 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.26 175.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.88 109.297 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.509 HG21 ' H ' ' A' ' 26' ' ' SER . 72.8 t -53.39 -77.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.81000000000000005 109.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.58 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -152.21 146.47 25.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.528 1.143 . . . . 0.68999999999999995 109.973 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 46.7 p -155.83 163.92 39.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.47999999999999998 110.016 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.479 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.6 m -138.09 60.57 23.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.59999999999999998 110.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.762 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.571 1.827 . . . . 0.48999999999999999 111.017 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.19 44.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.44 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.15 103.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 2.6899999999999999 110.227 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 34.75 3.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 111.018 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.31 98.41 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.794 . . . . 1.3500000000000001 109.978 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -111.55 123.7 50.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 1.99 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.17 -48.2 0.52 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.569 1.168 . . . . 0.89000000000000001 110.948 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.94 167.56 12.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 0.766 . . . . 1.72 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.5 130.64 85.54 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 1.3500000000000001 109.236 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.5 Cg_endo -74.97 146.28 32.61 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.461 1.769 . . . . 1.24 110.979 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.25 -57.69 7.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.78000000000000003 109.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -152.37 171.71 17.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.601 1.188 . . . . 2.9500000000000002 109.246 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -105.36 140.63 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.47999999999999998 109.281 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -113.95 147.5 38.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 1.8600000000000001 110.307 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.1 mt -147.47 144.0 28.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.44 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.469 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.9 m-70 -141.93 146.85 36.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.82999999999999996 109.673 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.767 ' CG ' HD23 ' A' ' 29' ' ' LEU . 19.9 m-85 -151.46 97.95 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 2.8599999999999999 110.965 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.509 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.1 t -70.03 -8.65 50.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.555 1.159 . . . . 2.1000000000000001 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 28' ' ' ASN . 7.1 pt-20 -100.36 32.55 2.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 6.1500000000000004 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.558 HD21 HG23 ' A' ' 30' ' ' VAL . 7.1 t-20 62.09 136.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 4.6799999999999997 109.351 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.767 HD23 ' CG ' ' A' ' 25' ' ' PHE . 1.5 tm? -98.46 -65.58 0.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 7.4699999999999998 109.316 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.558 HG23 HD21 ' A' ' 28' ' ' ASN . 1.4 t 62.43 124.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 3.8999999999999999 109.339 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 31' ' ' THR . 14.1 t -88.48 64.52 7.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 4.8499999999999996 110.385 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 4.1 tp60 -98.43 -46.23 5.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 4.7199999999999998 110.297 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' HB2' HG11 ' A' ' 86' ' ' VAL . 40.4 m-85 -146.04 19.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 4.0599999999999996 111.015 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 t -94.55 172.34 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.73 109.951 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.7 -173.09 37.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.6 1.187 . . . . 0.88 111.016 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.69 158.27 39.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 0.802 . . . . 0.70999999999999996 109.267 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -154.91 118.55 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 3.1499999999999999 109.382 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.973 HD13 HG22 ' A' ' 81' ' ' VAL . 5.7 tp -88.64 130.26 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.68999999999999995 109.259 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' N ' HD12 ' A' ' 38' ' ' LEU . 14.2 m -123.08 131.46 73.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.76000000000000001 109.315 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.46 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 3.5 tmm? -88.77 95.33 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 2.1800000000000002 110.97 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.68 60.01 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.1399999999999999 110.378 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.33 -56.43 12.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 2.0699999999999998 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.409 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -137.05 143.03 40.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 5.25 111.005 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.2 Cg_endo -75.06 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.492 1.785 . . . . 3.7000000000000002 111.0 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.29 -61.05 6.04 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.543 1.152 . . . . 4.1500000000000004 111.015 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -140.98 93.1 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 0.714 . . . . 5.4800000000000004 110.99 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' CD ' ' NE2' ' A' ' 48' ' ' HIS . 0.4 OUTLIER 55.67 73.84 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.603 1.189 . . . . 6.5999999999999996 110.333 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.436 ' NE2' ' CD ' ' A' ' 47' ' ' GLU . 15.6 p80 44.35 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 6.6200000000000001 109.606 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.57 76.42 54.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 2.4300000000000002 109.939 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.26 20.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.789 . . . . 1.8100000000000001 110.958 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.8 mtm -121.75 131.17 53.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 2.48 110.964 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.97 144.73 52.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.88 109.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -115.16 151.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 O-C-N 124.405 1.066 . . . . 0.92000000000000004 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.8 130.84 38.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 3.04 109.348 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.71 174.89 13.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.66000000000000003 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.48 144.43 37.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.65000000000000002 109.245 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.838 HG12 HG13 ' A' ' 68' ' ' ILE . 6.0 m -111.3 125.79 68.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 1.8500000000000001 109.307 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 m -125.61 174.77 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 1.1200000000000001 110.031 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.84 153.75 20.43 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 1.05 111.02 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.17 55.22 5.0 Favored Glycine 0 CA--C 1.531 1.081 0 N-CA-C 110.926 -0.87 . . . . 2.2000000000000002 110.926 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.04 -54.47 3.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.596 0.821 . . . . 2.8500000000000001 111.058 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -82.56 146.81 54.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 2.8199999999999998 109.305 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.74 10.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.453 1.765 . . . . 1.3600000000000001 110.993 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -94.68 -26.58 16.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 3.4100000000000001 109.328 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -99.26 128.06 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 1.1000000000000001 110.464 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -126.4 155.05 42.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 1.8400000000000001 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -154.12 121.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 1.9099999999999999 109.273 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.838 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -95.88 128.93 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.72999999999999998 109.332 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.6 111.7 10.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.72999999999999998 110.423 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.24 18.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.64000000000000001 110.979 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.09 74.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.75 109.312 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 t -95.27 146.84 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 1.1000000000000001 110.018 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 131.42 14.2 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.72999999999999998 110.978 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.648 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.0 mt -77.67 116.33 18.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.60999999999999999 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.9 p -91.32 168.44 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.62 110.416 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.644 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.24 150.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.78000000000000003 109.346 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.16 -150.54 20.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.493 1.12 . . . . 0.56999999999999995 111.043 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 m -134.06 134.1 41.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.62 110.399 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.694 ' HB3' HD11 ' A' ' 38' ' ' LEU . 21.5 m-85 -138.09 159.66 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.75 111.012 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -131.63 118.58 20.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 3.0499999999999998 109.261 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.973 HG22 HD13 ' A' ' 38' ' ' LEU . 48.0 t -94.62 105.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.5 109.273 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.36 117.42 29.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 1.8500000000000001 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.577 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 31.9 p-90 -115.3 159.73 20.68 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.981 -1.118 . . . . 0.59999999999999998 107.981 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.653 ' HG2' HG22 ' A' ' 94' ' ' THR . 1.3 mtp180 -146.14 124.08 12.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 3.79 110.283 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.95 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.95999999999999996 109.268 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 33' ' ' PHE . 59.4 t -148.52 115.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 2.5299999999999998 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.9 t -89.07 -39.93 13.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 4.1699999999999999 109.987 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.97 173.82 15.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 3.4700000000000002 109.962 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 91.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 7.4100000000000001 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 90' ' ' THR . 9.9 t -175.22 74.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 5.3099999999999996 110.434 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.6 m80 61.26 113.5 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.179 . . . . 4.7300000000000004 109.674 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 154.51 42.68 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 1.6399999999999999 110.955 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.56 ' N ' HD12 ' A' ' 93' ' ' ILE . 4.7 mp -106.94 99.93 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 2.6899999999999999 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 84' ' ' ARG . 18.1 p -88.45 151.88 22.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.404 1.065 . . . . 0.73999999999999999 110.432 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.577 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.21 150.15 19.64 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.621 1.2 . . . . 0.52000000000000002 111.068 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.83 142.59 38.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.81000000000000005 109.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.762 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.3 t -126.16 110.85 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.42999999999999999 109.342 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.3 t -90.64 141.58 28.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.54000000000000004 110.411 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -153.97 147.59 25.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.71 111.011 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -103.82 167.21 9.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 3.54 109.336 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.644 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.2 t -142.31 119.54 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.5 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 3.2400000000000002 109.312 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.456 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.586 -0.524 . . . . 9.6600000000000001 109.586 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.98 -44.7 0.32 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.475 1.776 . . . . 5.9000000000000004 111.052 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -109.99 163.98 13.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.061 . . . . 5.5700000000000003 109.306 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.611 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.32 174.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.97999999999999998 109.307 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.448 HG21 ' H ' ' A' ' 26' ' ' SER . 38.4 t -55.86 -77.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.71999999999999997 109.33 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.611 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -147.9 150.49 34.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.79000000000000004 109.998 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.991 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.1 p -155.96 167.3 30.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.41 1.068 . . . . 0.47999999999999998 109.993 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 8' ' ' THR . 15.3 m -140.23 58.37 10.59 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.76000000000000001 110.353 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.789 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.02 -58.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.46999999999999997 110.955 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.45 45.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.46999999999999997 109.308 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.532 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -43.03 110.6 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 2.3599999999999999 110.299 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.53 35.05 0.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.538 1.149 . . . . 0.81999999999999995 110.982 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.631 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -70.25 98.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.758 . . . . 1.1699999999999999 110.02 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -106.21 119.88 40.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 1.7 110.242 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.85 -50.76 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.431 1.082 . . . . 0.85999999999999999 110.959 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.33 169.39 12.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.452 0.737 . . . . 1.71 109.27 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.756 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -67.9 137.33 92.38 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 1.3799999999999999 109.299 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.43 21.75 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.424 1.749 . . . . 1.3899999999999999 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.51 -51.33 67.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.92000000000000004 109.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.96 157.18 37.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.415 1.072 . . . . 2.9300000000000002 109.282 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.551 HG23 ' HB3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -100.34 137.87 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.081 . . . . 0.52000000000000002 109.326 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.9 tt0 -112.68 149.76 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.99 110.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.991 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.9 mt -147.64 143.54 27.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.41999999999999998 109.326 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.578 ' O ' HD23 ' A' ' 4' ' ' LEU . 55.9 m-70 -136.55 148.81 47.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.70999999999999996 109.603 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 11.7 m-85 -149.42 95.79 2.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 2.3700000000000001 111.043 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.1 t -71.2 -8.26 52.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 1.51 109.982 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.79 35.68 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 5.21 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 61.4 144.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 4.4400000000000004 109.32 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 25' ' ' PHE . 33.2 tp -132.76 75.26 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.46 1.1 . . . . 7.96 109.339 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.15 158.13 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 3.96 109.257 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 t -104.41 58.55 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.149 . . . . 4.2400000000000002 110.415 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.27 -51.24 4.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 4.6799999999999997 110.294 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -142.58 14.92 1.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 4.0499999999999998 111.011 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.2 p -85.71 162.2 18.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 1.6799999999999999 110.035 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.91 -166.78 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.14 . . . . 1.04 111.042 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -155.08 159.89 40.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.94999999999999996 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.13 118.48 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 3.6400000000000001 109.313 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 74' ' ' LEU . 46.5 tp -85.68 137.76 32.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 1.28 109.298 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 80' ' ' LYS . 31.1 m -136.26 135.4 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.78000000000000003 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.559 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.9 ttt -98.21 96.6 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 1.71 110.949 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 41' ' ' THR . 10.3 t -109.89 59.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 1.05 110.419 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.74 132.14 35.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 2.4700000000000002 109.3 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.0 tpt 49.03 98.07 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 4.29 110.971 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 130.25 13.08 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.48 1.779 . . . . 4.7300000000000004 111.045 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.2 50.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.555 1.16 . . . . 5.1100000000000003 111.045 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -147.05 60.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 5.1200000000000001 110.979 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' MET . 0.0 OUTLIER 39.06 53.91 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 5.9699999999999998 110.28 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 47' ' ' GLU . 7.8 p80 41.02 88.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 7.9100000000000001 109.676 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.93 66.92 41.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 2.29 110.055 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 146.72 33.0 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 1.48 111.049 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -101.39 110.01 21.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 4.2599999999999998 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -62.98 144.33 56.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.93999999999999995 109.319 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.6 p -130.03 155.86 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.596 1.185 . . . . 1.24 109.337 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.55 134.63 39.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 3.8399999999999999 109.278 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -154.26 174.87 14.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.88 109.33 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.65 146.15 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.96999999999999997 109.292 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.526 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -117.03 121.76 68.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 1.9099999999999999 109.29 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.6 m -117.54 175.46 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 1.3600000000000001 110.007 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.65 150.71 21.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 1.3 111.038 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.67 -137.92 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.933 -0.867 . . . . 2.1400000000000001 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.49 -34.94 48.74 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.975 -0.85 . . . . 2.29 110.975 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -110.66 156.11 41.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 3.6000000000000001 109.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -0.68 10.24 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.555 1.819 . . . . 1.45 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -86.77 -23.86 25.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 2.2999999999999998 109.258 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -102.13 118.25 36.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.75 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.5 150.55 38.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.51 110.949 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -143.16 115.11 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 2.0899999999999999 109.203 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.607 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.5 mp -87.48 131.44 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.72999999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -141.05 100.38 6.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.67000000000000004 110.465 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.02 135.19 18.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.439 1.757 . . . . 0.77000000000000002 110.958 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.83 82.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.94999999999999996 109.323 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.98 139.89 88.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 1.27 109.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.97 10.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.488 1.783 . . . . 1.01 110.983 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.84 HD21 HD21 ' A' ' 38' ' ' LEU . 37.3 mt -79.92 116.89 20.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.66000000000000003 109.235 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.7 p -101.25 175.04 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.98999999999999999 110.415 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.27 163.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.70999999999999996 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.66 -159.99 13.89 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.46 1.1 . . . . 0.64000000000000001 111.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 88.9 m -128.03 142.87 51.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.623 0.837 . . . . 0.88 110.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.6 m-85 -141.73 169.18 18.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 1.9099999999999999 110.998 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -143.94 114.82 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 2.8300000000000001 109.306 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.811 HG22 HD13 ' A' ' 38' ' ' LEU . 2.7 t -89.91 112.19 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.98999999999999999 109.337 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -95.09 124.04 38.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 2.4199999999999999 109.297 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.558 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 29.8 p-90 -120.4 157.49 29.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.66000000000000003 108.007 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.655 ' HG2' HG22 ' A' ' 94' ' ' THR . 3.6 mtp180 -146.89 134.9 21.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 3.1499999999999999 110.321 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -122.29 156.8 33.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.92000000000000004 109.273 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.71 149.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 3.04 109.326 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.63 30.08 7.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 3.5600000000000001 109.946 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.83 -64.31 0.4 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 3.3399999999999999 110.046 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 90' ' ' THR . 3.4 p30 -104.8 -176.47 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 5.2699999999999996 109.326 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.487 HG23 ' OD1' ' A' ' 89' ' ' ASP . 70.0 p 47.1 -172.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 4.3799999999999999 110.431 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.15 154.45 74.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 8.6500000000000004 109.582 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 163.24 35.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.763 . . . . 2.8300000000000001 111.023 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.56 129.04 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 3.5800000000000001 109.244 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.655 HG22 ' HG2' ' A' ' 84' ' ' ARG . 33.3 p -97.28 162.19 13.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.1000000000000001 110.473 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.55 157.41 29.12 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.486 1.116 . . . . 0.70999999999999996 110.951 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.12 150.1 36.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.95999999999999996 110.029 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.789 HG11 ' HG2' ' A' ' 9' ' ' PRO . 52.4 t -132.14 102.48 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.58999999999999997 109.227 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.8 t -85.54 138.92 31.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.69999999999999996 110.443 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 43.3 p90 -148.93 152.42 36.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.413 1.07 . . . . 1.8600000000000001 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -103.14 161.34 13.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 2.3300000000000001 109.317 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.613 HG13 ' N ' ' A' ' 17' ' ' ALA . 96.2 t -138.17 118.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.53000000000000003 109.231 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 3.1099999999999999 109.271 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.567 ' CD2' ' HD2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.592 -0.521 . . . . 9.0899999999999999 109.592 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.567 ' HD2' ' CD2' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -74.96 53.84 3.44 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.516 1.798 . . . . 4.5599999999999996 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.17 160.06 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.583 1.177 . . . . 4.5599999999999996 109.238 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.794 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.74 164.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0600000000000001 109.332 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.612 HG21 ' H ' ' A' ' 26' ' ' SER . 19.8 t -62.0 -83.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.81999999999999995 109.225 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.551 ' C ' HD21 ' A' ' 4' ' ' LEU . 2.2 m -137.08 153.13 50.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.58999999999999997 110.035 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.8 p -156.43 167.61 29.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.38 109.993 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.501 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 59.9 m -138.68 59.65 17.18 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.59999999999999998 110.368 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.901 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -63.85 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.42999999999999999 111.014 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 166.75 48.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.55000000000000004 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.19 108.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 3.1000000000000001 110.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 33.83 2.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.77000000000000002 111.009 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.588 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.85 99.48 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 1.23 109.941 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -108.66 120.67 43.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 1.75 110.242 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 157.6 -46.5 0.47 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.95999999999999996 110.946 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.14 167.42 12.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 0.729 . . . . 1.8300000000000001 109.356 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.699 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -71.59 138.34 83.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 1.47 109.276 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.49 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.0 129.62 12.52 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 1.55 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.81 -52.49 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 1.02 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 146.64 23.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 2.6299999999999999 109.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -89.04 138.86 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.44 109.31 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 7' ' ' SER . 1.4 tt0 -110.9 149.71 30.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.135 . . . . 2.1299999999999999 110.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.67 144.6 28.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.57999999999999996 109.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 4' ' ' LEU . 76.8 m-70 -134.73 157.14 47.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.132 . . . . 0.87 109.582 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.1 m-85 -154.68 114.58 3.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 2.29 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.612 ' H ' HG21 ' A' ' 5' ' ' VAL . 53.3 p -70.13 -12.13 61.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 2.48 110.003 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ASN . 2.8 mm-40 -122.92 142.86 50.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 4.4500000000000002 110.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.536 ' ND2' HG23 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -40.78 131.07 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 6.4699999999999998 109.319 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 25' ' ' PHE . 1.2 tm? -78.28 -54.36 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 7.2599999999999998 109.34 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.536 HG23 ' ND2' ' A' ' 28' ' ' ASN . 1.2 t 63.01 125.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 4.1900000000000004 109.363 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 31' ' ' THR . 10.1 t -88.58 66.95 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 4.3899999999999997 110.392 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 1.7 tp-100 -101.08 -49.58 4.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 4.9800000000000004 110.283 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' H ' HG11 ' A' ' 86' ' ' VAL . 39.8 m-85 -146.29 18.57 1.37 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 4.2599999999999998 110.981 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.422 ' HB3' HG12 ' A' ' 86' ' ' VAL . 51.8 p -87.21 172.16 10.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 1.8600000000000001 110.069 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.47 161.66 9.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.90000000000000002 110.956 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 82' ' ' ASP . . . -139.6 158.5 44.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.65000000000000002 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.95 128.83 8.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.449 1.093 . . . . 2.6299999999999999 109.236 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.051 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -96.81 142.68 28.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.122 . . . . 0.71999999999999997 109.344 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.886 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.4 m -136.57 136.4 48.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.60999999999999999 109.287 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.5 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.4 tmm? -88.17 95.68 10.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 2.04 110.984 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -106.96 64.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.88 110.371 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 41' ' ' THR . . . -49.32 177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 2.0499999999999998 109.285 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -40.23 161.77 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 5.6600000000000001 111.017 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 85.08 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.595 1.84 . . . . 3.5800000000000001 111.032 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.76 -35.98 5.97 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.477 1.111 . . . . 3.7999999999999998 110.989 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.7 mtp -127.56 175.17 8.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.614 0.832 . . . . 4.9500000000000002 111.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.78 89.96 0.77 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 5.5099999999999998 110.33 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.1 m80 43.07 89.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 5.4500000000000002 109.616 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 m -132.02 69.04 80.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 2.9100000000000001 109.952 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 168.34 25.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.499 1.789 . . . . 1.8200000000000001 110.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtt -151.83 130.89 12.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 2.2200000000000002 111.022 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.25 145.02 33.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.78000000000000003 109.281 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.421 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 p -110.9 142.64 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.90000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -72.09 102.17 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 3.4500000000000002 109.315 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.41 174.59 9.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.65000000000000002 109.25 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.24 138.84 38.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.73999999999999999 109.29 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 68' ' ' ILE . 85.1 t -101.77 119.7 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.6600000000000001 109.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.445 ' HB2' HG23 ' A' ' 67' ' ' VAL . 14.5 m -115.24 173.85 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 1.24 109.982 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.42 145.11 15.39 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 1.1499999999999999 111.058 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.64 -157.99 0.92 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.993 -0.843 . . . . 2.0699999999999998 110.993 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -54.38 -45.93 73.96 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.002 -0.839 . . . . 2.0699999999999998 111.002 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.69 153.91 38.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.552 0.795 . . . . 3.48 109.333 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -1.67 11.54 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 1.25 111.013 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.05 -18.71 29.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 2.04 109.275 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.406 ' C ' ' HE2' ' A' ' 66' ' ' MET . 6.1 m -98.76 134.16 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.96999999999999997 110.426 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.406 ' HE2' ' C ' ' A' ' 65' ' ' THR . 1.5 mpp? -129.98 145.85 51.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 1.6000000000000001 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 58' ' ' SER . 2.7 m -145.09 117.67 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 2.0600000000000001 109.263 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -86.02 121.22 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.54000000000000004 109.212 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -132.84 95.78 18.97 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.77000000000000002 110.366 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -74.98 135.79 19.59 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.77000000000000002 111.011 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.9 -36.47 82.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.92000000000000004 109.326 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.51 138.63 35.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.96999999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.02 15.97 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.828 . . . . 0.76000000000000001 110.992 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.699 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 29.7 mt -79.91 116.14 19.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.29 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 64.2 p -86.62 172.21 10.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.77000000000000002 110.42 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.49 171.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.77000000000000002 109.252 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.16 -152.64 17.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.67000000000000004 111.017 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.467 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -129.86 136.04 49.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 110.432 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -137.44 150.2 47.45 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 2.0099999999999998 111.016 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -132.58 114.93 14.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 2.3199999999999998 109.368 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.051 HG22 HD13 ' A' ' 38' ' ' LEU . 22.3 t -89.17 150.67 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 1.3100000000000001 109.241 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ALA . 64.7 m-20 -130.63 121.12 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 2.1600000000000001 109.224 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.9 p-90 -116.07 157.22 25.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.59999999999999998 108.03 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -145.91 128.29 15.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 3.1000000000000001 110.328 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.5 158.25 18.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.98999999999999999 109.28 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG11 ' H ' ' A' ' 33' ' ' PHE . 13.3 p -131.78 145.76 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 3.2200000000000002 109.246 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.0 t -154.55 57.75 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 3.4100000000000001 110.028 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.3 t 41.41 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 3.6600000000000001 110.011 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -170.95 158.92 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 6.7199999999999998 109.279 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -56.91 -73.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 5.6799999999999997 110.346 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -83.61 121.76 76.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 6.1900000000000004 109.594 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 170.15 21.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.81 . . . . 1.8799999999999999 111.041 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 93' ' ' ILE . 4.3 mp -92.53 130.98 40.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 3.04 109.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -119.3 167.6 11.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 1.05 110.449 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 177.59 156.74 16.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.569 1.168 . . . . 0.48999999999999999 111.001 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.9 OUTLIER -142.13 158.71 43.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.81000000000000005 109.999 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.901 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -138.1 108.29 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.48999999999999999 109.274 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.1 t -89.95 138.48 31.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.46999999999999997 110.396 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 24.0 p90 -151.82 150.16 29.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 1.8400000000000001 110.987 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -100.94 168.2 9.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 2.6699999999999999 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.633 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.6 t -144.19 117.62 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.59999999999999998 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 3.8500000000000001 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.533 -0.544 . . . . 10.65 109.533 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.11 30.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 4.4800000000000004 111.004 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -118.66 165.24 14.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 5.0300000000000002 109.313 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -53.79 173.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.381 1.051 . . . . 1.1100000000000001 109.316 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.426 HG21 ' H ' ' A' ' 26' ' ' SER . 85.2 t -57.1 -79.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.79000000000000004 109.372 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -145.3 151.83 38.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.56000000000000005 109.938 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 73.9 p -155.88 166.36 33.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.34000000000000002 110.0 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.514 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.0 m -136.71 58.9 21.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.83999999999999997 110.382 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.778 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.98 -61.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.52000000000000002 111.03 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.48 46.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.46999999999999997 109.352 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -45.55 107.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 2.1400000000000001 110.287 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.95 51.39 4.14 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.462 1.102 . . . . 0.81999999999999995 111.037 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.516 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -90.43 101.7 14.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 0.736 . . . . 1.3 109.999 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -105.97 123.38 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 2.0099999999999998 110.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 153.02 -50.57 0.5 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.514 1.133 . . . . 1.1699999999999999 111.019 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.68 170.24 8.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 0.826 . . . . 1.95 109.242 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -90.47 136.34 28.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 1.72 109.324 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 169.52 22.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 1.2 111.005 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.89 -50.6 63.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.80000000000000004 109.338 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 155.25 33.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 3.8700000000000001 109.288 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.76 145.96 7.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.41999999999999998 109.332 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 3.2 tt0 -113.97 148.48 36.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 2.4100000000000001 110.228 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 14.4 mt -148.52 142.77 26.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.438 1.086 . . . . 0.5 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.48 ' O ' HD23 ' A' ' 4' ' ' LEU . 62.8 m-70 -135.21 159.83 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.76000000000000001 109.607 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 19.9 m-85 -154.99 151.9 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 2.1299999999999999 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.426 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.4 OUTLIER -81.81 -14.71 55.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.074 . . . . 1.7 109.916 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -152.15 -45.98 0.11 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.562 1.164 . . . . 5.9500000000000002 110.293 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 63' ' ' PRO . 8.8 t30 60.26 -87.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 4.7300000000000004 109.327 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 39.15 79.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 6.4400000000000004 109.355 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.747 HG12 ' H ' ' A' ' 32' ' ' GLN . 81.9 t -54.42 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 4.9900000000000002 109.296 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.646 HG22 ' O ' ' A' ' 30' ' ' VAL . 11.2 t 47.9 23.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 6.6399999999999997 110.383 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.747 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -148.68 -142.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 6.3600000000000003 110.301 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -113.7 55.51 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 4.9400000000000004 111.057 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.552 ' HB3' HG13 ' A' ' 30' ' ' VAL . 46.3 t -91.32 166.87 12.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 1.51 110.02 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 153.51 178.07 27.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.91000000000000003 110.972 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.68 167.54 21.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 0.717 . . . . 0.81000000000000005 109.321 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttp -155.33 129.48 8.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 2.4500000000000002 109.344 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.084 HD13 HG22 ' A' ' 81' ' ' VAL . 21.0 tp -96.13 133.54 40.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 109.315 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' H ' HD12 ' A' ' 38' ' ' LEU . 13.0 m -122.38 139.77 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.59999999999999998 109.31 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.445 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 2.5 tmm? -93.95 96.68 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 2.2599999999999998 110.99 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 41' ' ' THR . 10.0 t -116.66 79.96 1.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.92000000000000004 110.407 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.4 -178.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 2.04 109.258 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mtp -37.92 139.35 0.61 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.144 . . . . 4.1699999999999999 111.02 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 96.48 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 3.9500000000000002 111.008 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.78 42.6 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 4.1200000000000001 110.996 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -148.36 59.77 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 7.21 111.019 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' MET . 2.9 tt0 38.45 42.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 8.5099999999999998 110.222 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 43.47 88.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 5.75 109.571 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -129.14 70.54 81.72 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 3.46 109.991 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 164.25 33.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.517 1.798 . . . . 2.1400000000000001 111.028 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.99 147.02 26.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 2.8799999999999999 111.038 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.72 149.4 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.82999999999999996 109.245 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 6.0 p -102.22 155.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 1.1100000000000001 109.335 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -87.91 84.36 7.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 3.2400000000000002 109.324 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -128.27 173.99 9.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.65000000000000002 109.251 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.63 149.66 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.84999999999999998 109.296 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -101.58 126.84 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 2.4700000000000002 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.479 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -132.27 136.88 47.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 1.3100000000000001 109.993 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.86 169.79 37.26 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.98999999999999999 110.998 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.48 -142.4 12.96 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.022 -0.831 . . . . 2.1000000000000001 111.022 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.66 -25.21 74.04 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.99 -0.844 . . . . 2.3900000000000001 110.99 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -107.94 145.35 31.23 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 3.25 109.266 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 18.4 Cg_endo -75.01 -14.49 21.1 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.503 1.791 . . . . 1.8899999999999999 111.002 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 ptpt -87.24 -17.42 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 2.1400000000000001 109.3 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -91.28 131.6 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0800000000000001 110.34 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.88 135.71 43.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.1599999999999999 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' SER . 2.7 m -134.24 123.69 44.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 2.04 109.294 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 23' ' ' LEU . 0.9 OUTLIER -86.68 120.4 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.16 . . . . 0.46000000000000002 109.319 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.38 105.06 33.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.55000000000000004 110.38 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.471 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -75.05 134.89 18.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.47999999999999998 111.031 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.19 62.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.68000000000000005 109.264 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 150.01 37.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.76000000000000001 110.041 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 133.79 17.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.476 1.777 . . . . 0.75 111.027 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 28.9 mt -81.56 116.33 21.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.59999999999999998 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 58.5 p -93.8 172.89 7.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.63 110.427 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.32 175.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.82999999999999996 109.31 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.71 -153.17 17.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.68999999999999995 111.032 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.2 m -134.77 134.19 40.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.81999999999999995 110.35 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.639 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.3 m-85 -132.9 167.14 20.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 1.9299999999999999 110.961 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.17 116.78 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 2.7200000000000002 109.318 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.084 HG22 HD13 ' A' ' 38' ' ' LEU . 24.3 t -90.98 104.19 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.58999999999999997 109.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.0 115.65 28.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 2.0699999999999998 109.285 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.576 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.5 p-90 -112.8 154.94 25.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.46000000000000002 108.01 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.486 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.8 mtm105 -145.4 130.35 18.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 3.3199999999999998 110.244 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.38 107.88 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.97999999999999998 109.281 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' ' 92' ' ' PRO . 39.1 t -101.02 134.21 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 3.1800000000000002 109.318 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.12 151.16 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 3.7999999999999998 109.995 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 m -67.59 80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 3.9700000000000002 110.044 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.461 ' OD2' HG22 ' A' ' 90' ' ' THR . 20.6 t70 -131.91 -52.65 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 7.7000000000000002 109.28 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.51 HG23 ' H ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -178.58 -56.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 5.5 110.383 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.51 ' H ' HG23 ' A' ' 90' ' ' THR . 0.3 OUTLIER -137.2 159.05 71.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 5.5899999999999999 109.576 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.615 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -74.96 158.06 42.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.515 1.797 . . . . 1.6299999999999999 111.016 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 23.4 mm -106.84 127.34 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 2.6800000000000002 109.315 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 84' ' ' ARG . 40.2 p -115.54 140.69 48.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.81000000000000005 110.413 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.576 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -149.33 162.24 28.96 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.56000000000000005 110.989 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.42 143.88 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 109.984 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.778 HG11 ' HG2' ' A' ' 9' ' ' PRO . 24.2 t -130.58 97.45 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.40000000000000002 109.319 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.6 t -84.56 139.41 32.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.65000000000000002 110.402 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.0 p90 -152.61 149.26 28.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 1.8 110.94 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -99.78 166.69 10.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 92.7 t -145.65 116.8 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.69999999999999996 109.288 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.8399999999999999 109.246 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.616 -0.513 . . . . 10.92 109.616 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -41.32 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 5.4000000000000004 110.977 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -142.21 164.98 28.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 4.71 109.266 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.21 168.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0600000000000001 109.23 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.69 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -57.02 -78.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.70999999999999996 109.251 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -146.17 151.93 38.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.71999999999999997 110.02 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.938 ' HB2' HD23 ' A' ' 23' ' ' LEU . 22.3 p -157.37 164.31 37.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.44 110.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.487 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.9 m -135.47 60.08 35.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.59999999999999998 110.419 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.711 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.40999999999999998 111.01 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.782 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 179.03 43.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.38 109.295 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.98 109.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 2.2400000000000002 110.299 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.68 38.37 0.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 0.79000000000000004 111.045 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.619 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -71.86 96.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 1.1899999999999999 109.908 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -102.66 125.16 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 1.8100000000000001 110.298 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.36 -45.97 0.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.95999999999999996 110.974 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.03 162.22 15.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 1.96 109.319 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -87.59 140.79 31.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 1.8400000000000001 109.351 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.782 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 150.2 38.21 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.501 1.79 . . . . 1.48 111.041 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -43.93 91.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.90000000000000002 109.292 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.88 147.78 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.1699999999999999 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -86.31 140.81 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.40999999999999998 109.307 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 mt-10 -110.4 146.98 34.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 1.95 110.328 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.86 144.69 28.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.45000000000000001 109.359 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.497 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.0 m-70 -136.41 155.74 49.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.60999999999999999 109.584 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 52.8 m-85 -154.84 103.48 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 2.0499999999999998 111.074 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.69 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -70.04 -6.7 35.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.502 1.126 . . . . 1.55 110.025 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -95.03 -73.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 3.48 110.332 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 3.5 t-20 166.03 149.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 4.3899999999999997 109.321 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HG ' ' CE ' ' A' ' 66' ' ' MET . 2.4 tm? -99.15 -72.06 0.67 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 7.7000000000000002 109.348 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 64.19 134.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 3.8799999999999999 109.207 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 31' ' ' THR . 10.1 t -90.64 73.31 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 4.79 110.369 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.51 -48.64 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 4.6900000000000004 110.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -152.65 21.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 4.3300000000000001 111.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.7 t -97.1 164.9 12.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.12 . . . . 1.6899999999999999 110.051 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.26 161.89 12.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 1.28 110.983 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.91 159.27 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.70999999999999996 109.26 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -155.18 128.67 8.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 2.54 109.294 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.052 HD13 HG22 ' A' ' 81' ' ' VAL . 7.0 tp -96.52 131.91 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.68000000000000005 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.665 ' N ' HD12 ' A' ' 38' ' ' LEU . 7.7 m -127.54 134.24 66.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.81000000000000005 109.279 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -87.54 90.68 8.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.548 1.155 . . . . 1.8400000000000001 110.959 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.66 60.0 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.116 . . . . 1.01 110.357 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.3 133.22 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 2.75 109.241 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 tpt 56.55 97.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 3.9100000000000001 110.963 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 86.6 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 4.6799999999999997 110.971 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 178.13 50.27 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.482 1.113 . . . . 4.3799999999999999 110.953 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.41 61.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 0.802 . . . . 5.6299999999999999 110.967 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 41.11 37.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 5.5800000000000001 110.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 51.67 84.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 6.2699999999999996 109.574 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -130.33 74.08 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 2.1899999999999999 110.0 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 141.81 26.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 1.5800000000000001 111.037 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -107.93 108.88 20.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 2.2400000000000002 110.942 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.93 145.59 19.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.1899999999999999 109.282 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.78 136.12 57.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 1.1299999999999999 109.286 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -61.94 96.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 3.5099999999999998 109.297 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -128.99 174.84 9.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.56999999999999995 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.66 139.5 21.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.65000000000000002 109.292 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.642 HG22 HG13 ' A' ' 68' ' ' ILE . 84.8 t -97.31 124.6 50.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 m -139.66 133.12 30.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.96999999999999997 109.974 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.68 159.56 53.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.24 -119.0 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.044 -0.822 . . . . 2.02 111.044 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -84.69 -33.96 17.41 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.032 -0.827 . . . . 2.1600000000000001 111.032 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.88 160.83 35.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.525 0.78 . . . . 2.2599999999999998 109.25 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -12.76 21.43 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.567 1.825 . . . . 1.3200000000000001 110.99 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -85.15 -9.76 57.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 2.5499999999999998 109.318 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 1.7 m -113.06 123.41 50.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.76000000000000001 110.396 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 mpp? -106.88 150.89 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 1.1200000000000001 110.988 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 71.8 t -144.7 114.94 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.392 1.058 . . . . 1.5800000000000001 109.276 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.642 HG13 HG22 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -86.53 118.73 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.55000000000000004 109.342 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -119.01 111.11 37.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.87 110.419 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 134.92 18.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.571 1.827 . . . . 0.79000000000000004 111.028 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.6 -25.96 62.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 109.315 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 157.01 47.35 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 1.1699999999999999 110.038 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 130.63 13.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.507 1.793 . . . . 0.77000000000000002 110.984 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.5 mt -76.56 116.13 16.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.63 109.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 p -85.18 170.83 12.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.72999999999999998 110.367 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.545 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.6 178.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.76000000000000001 109.351 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.99 -147.38 16.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.52000000000000002 111.081 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.6 m -133.34 140.28 47.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.83999999999999997 110.39 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.706 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.9 m-85 -139.97 160.83 39.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 2.0299999999999998 110.985 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 115.64 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 2.9199999999999999 109.309 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.052 HG22 HD13 ' A' ' 38' ' ' LEU . 43.9 t -94.98 106.24 17.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.64000000000000001 109.335 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.25 123.35 34.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 1.8899999999999999 109.272 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CH2' ' HA3' ' A' ' 95' ' ' GLY . 21.2 p-90 -120.41 157.71 28.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.65000000000000002 108.022 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.455 ' HG2' HG22 ' A' ' 94' ' ' THR . 13.0 mtp180 -148.25 122.01 9.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 4.9100000000000001 110.287 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' CB ' ' CE2' ' A' ' 25' ' ' PHE . . . -111.37 151.19 28.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.78000000000000003 109.289 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 92' ' ' PRO . 93.1 t -149.96 106.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 2.6800000000000002 109.259 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 3.5600000000000001 109.997 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.23 -56.55 12.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 4.3600000000000003 109.995 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.62 99.71 3.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.175 . . . . 5.4100000000000001 109.28 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -173.05 156.43 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 6.7999999999999998 110.395 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.61 163.84 0.23 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 4.8799999999999999 109.584 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' HA ' HG22 ' A' ' 86' ' ' VAL . 18.2 Cg_endo -75.07 126.7 10.09 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 2.21 111.02 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 1' ' ' HIS . 7.6 mm -99.29 97.45 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 2.5299999999999998 109.336 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 84' ' ' ARG . 70.8 p -91.99 154.04 19.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.89000000000000001 110.407 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -174.22 156.07 22.71 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 111.022 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.82 158.67 43.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 0.799 . . . . 1.0 109.953 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.711 HG11 ' HG2' ' A' ' 9' ' ' PRO . 71.9 t -135.4 101.43 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.64000000000000001 109.287 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -86.82 143.13 27.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.184 . . . . 0.77000000000000002 110.366 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.0 p90 -152.93 158.16 41.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 1.73 110.972 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -109.61 164.86 12.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 3.7599999999999998 109.32 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 17' ' ' ALA . 68.1 t -142.65 122.47 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.5 109.31 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 2.5899999999999999 109.275 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.47 ' HB3' ' CD ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.601 -0.518 . . . . 8.9299999999999997 109.601 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 47.04 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.762 . . . . 5.7400000000000002 110.949 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' CD ' ' HB3' ' A' ' 1' ' ' HIS . 0.0 OUTLIER -152.1 126.42 9.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 4.2999999999999998 109.293 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -66.65 175.09 2.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.92000000000000004 109.314 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.783 HG21 ' H ' ' A' ' 26' ' ' SER . 99.2 t -57.76 -81.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.66000000000000003 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.561 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -141.22 145.49 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.62 110.047 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.956 ' HB2' HD23 ' A' ' 23' ' ' LEU . 51.5 p -156.21 163.43 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.37 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.738 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -138.84 59.54 16.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.75 110.359 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.764 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.09 -69.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.42999999999999999 110.995 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.29 44.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.42999999999999999 109.3 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.43 105.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 2.0699999999999998 110.237 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.39 35.73 2.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.134 . . . . 0.78000000000000003 111.031 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.55 98.22 1.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.77 . . . . 1.29 110.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -108.52 119.93 40.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.8700000000000001 110.257 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.19 -55.32 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.87 110.988 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.07 173.37 5.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 1.6699999999999999 109.315 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -68.63 128.57 92.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 1.3999999999999999 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.8 36.43 Favored 'Trans proline' 0 C--N 1.362 1.249 0 O-C-N 124.397 1.735 . . . . 1.1299999999999999 110.964 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 -64.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.01 109.312 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -153.82 156.32 37.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 2.5299999999999998 109.33 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.02 140.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.41999999999999998 109.275 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -116.87 147.68 41.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.165 . . . . 2.29 110.347 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.956 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.5 mt -147.5 145.31 29.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.42999999999999999 109.287 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.586 ' O ' HD23 ' A' ' 4' ' ' LEU . 58.5 m-70 -139.52 156.94 46.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.67000000000000004 109.569 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 93.3 m-85 -154.57 115.09 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 2.3999999999999999 111.017 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.783 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -69.66 -11.44 60.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.5 110.023 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -113.39 147.1 38.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 4.2400000000000002 110.287 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' OD1' HG23 ' A' ' 30' ' ' VAL . 5.1 t-20 -40.26 135.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 5.3099999999999996 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -119.34 72.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.406 1.067 . . . . 7.2999999999999998 109.301 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' OD1' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -62.77 141.67 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 4.3700000000000001 109.296 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.696 HG23 ' O ' ' A' ' 31' ' ' THR . 14.6 t -90.69 67.5 6.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 4.4299999999999997 110.329 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 1.9 tp60 -108.32 -53.57 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 4.7800000000000002 110.356 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.54 ' HB2' HG21 ' A' ' 86' ' ' VAL . 27.0 m-85 -130.84 19.11 5.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 4.4299999999999997 111.007 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 p -88.77 169.12 11.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 2.0800000000000001 109.979 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.03 162.15 9.41 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.128 . . . . 0.89000000000000001 111.016 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.44 160.22 39.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 0.759 . . . . 0.62 109.307 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -154.64 126.32 7.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 3.3700000000000001 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.981 HD13 HG22 ' A' ' 81' ' ' VAL . 15.5 tp -93.47 141.43 28.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.79000000000000004 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.741 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.7 m -135.88 137.11 49.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.60999999999999999 109.247 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.549 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -90.85 96.96 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 1.9299999999999999 110.957 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -108.12 59.69 0.61 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.499 1.124 . . . . 0.82999999999999996 110.362 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.33 -60.35 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 2.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.4 mtt -148.12 153.65 41.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 3.8399999999999999 111.031 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 92.84 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 3.27 110.999 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.78 -63.65 3.4 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.458 1.099 . . . . 3.5 110.995 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.88 99.93 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 5.5 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 40.08 67.62 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 6.0700000000000003 110.327 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.6 t60 49.14 80.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 5.5099999999999998 109.554 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.86 80.31 17.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 2.2799999999999998 109.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.68 24.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.528 1.804 . . . . 1.3200000000000001 111.037 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtt -133.77 134.71 43.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 2.4399999999999999 111.055 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.55 148.18 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.78000000000000003 109.258 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -110.16 169.42 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.505 1.128 . . . . 0.80000000000000004 109.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.6 mttt -94.73 113.78 25.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 3.29 109.305 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.572 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -146.95 172.99 12.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.57999999999999996 109.269 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.17 143.87 40.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.279 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.932 HG12 HG13 ' A' ' 68' ' ' ILE . 12.5 m -107.71 125.8 64.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 1.8100000000000001 109.325 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 67' ' ' VAL . 4.0 m -134.96 148.73 50.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -100.42 161.44 18.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.452 1.095 . . . . 0.96999999999999997 111.036 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 62' ' ' ASP . . . -98.27 77.4 0.58 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 2.2000000000000002 110.992 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 68.6 -61.43 0.46 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.996 -0.842 . . . . 2.8599999999999999 110.996 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 60' ' ' GLY . 1.0 OUTLIER -78.6 141.97 61.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 2.54 109.271 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -1.87 11.81 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.527 1.804 . . . . 1.49 110.94 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -93.12 -30.65 15.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 2.0499999999999998 109.26 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -90.16 130.3 36.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.421 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -127.39 148.83 50.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 1.3999999999999999 111.05 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -151.15 120.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.529 1.143 . . . . 2.1099999999999999 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.932 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -91.46 127.29 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.5 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.625 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.07 99.21 13.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.81999999999999995 110.356 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.572 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.97 135.08 18.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.531 1.806 . . . . 0.67000000000000004 111.011 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.71 66.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 1.24 109.281 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.33 137.83 22.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.87 109.931 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 131.01 13.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.89000000000000001 110.993 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.463 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 24.0 mt -74.9 117.62 16.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.78000000000000003 109.289 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.1 p -84.44 168.57 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.68000000000000005 110.41 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.752 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -49.72 156.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.69999999999999996 109.231 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.28 -154.19 20.21 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.53000000000000003 110.996 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.508 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.4 m -130.99 135.97 48.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 0.724 . . . . 0.67000000000000004 110.334 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.8 m-85 -141.03 163.2 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 2.1499999999999999 111.029 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.418 ' HG2' ' CG2' ' A' ' 39' ' ' VAL . 47.3 pttt -136.36 119.6 16.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 3.3599999999999999 109.327 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.981 HG22 HD13 ' A' ' 38' ' ' LEU . 29.7 t -90.68 105.97 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.164 . . . . 0.55000000000000004 109.346 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -89.58 111.16 22.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 1.6200000000000001 109.336 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.567 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.1 p-90 -109.12 158.69 17.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.53000000000000003 108.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -145.88 114.36 6.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 1.185 . . . . 3.5800000000000001 110.287 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.492 ' CB ' ' CE2' ' A' ' 25' ' ' PHE . . . -102.14 144.56 30.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.1000000000000001 109.261 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.54 HG21 ' HB2' ' A' ' 33' ' ' PHE . 37.7 t -136.51 140.05 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 2.3700000000000001 109.254 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.577 ' HB3' HG22 ' A' ' 90' ' ' THR . 31.2 t -83.79 -60.42 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 3.6400000000000001 110.022 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.96 -62.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 3.8100000000000001 109.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' THR . 1.2 m-20 -109.51 -55.39 2.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 5.8099999999999996 109.251 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 87' ' ' SER . 6.4 t -38.72 153.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 6.5499999999999998 110.338 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -49.98 159.64 0.75 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 5.3499999999999996 109.597 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.34 35.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 1.5800000000000001 111.02 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.1 mp -122.28 100.87 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 2.6099999999999999 109.327 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.9 p -85.73 140.21 30.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.79000000000000004 110.4 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.01 162.0 29.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 0.47999999999999998 110.955 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -150.38 144.48 25.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 0.794 . . . . 0.93999999999999995 110.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.764 HG21 ' HG2' ' A' ' 9' ' ' PRO . 41.2 t -128.12 106.9 15.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.135 . . . . 0.45000000000000001 109.366 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.1 t -87.45 140.38 29.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.55000000000000004 110.403 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.82 152.05 32.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 1.8200000000000001 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -104.0 165.57 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 2.29 109.336 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 76' ' ' ALA . 77.6 t -144.2 114.18 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.47999999999999998 109.27 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 3.1200000000000001 109.262 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.491 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.586 -0.524 . . . . 16.77 109.586 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 -79.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.43 1.753 . . . . 9.6699999999999999 110.952 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -150.21 164.3 36.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 7.7300000000000004 109.331 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -55.39 105.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 1.5700000000000001 109.3 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' LEU . 11.7 t -55.36 -66.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.82999999999999996 109.259 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -155.86 153.26 29.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.66000000000000003 109.973 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.971 ' HB2' HD23 ' A' ' 23' ' ' LEU . 81.3 p -156.57 168.33 27.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.41999999999999998 110.018 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.534 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 25.9 m -141.91 57.81 7.33 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.54000000000000004 110.387 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.76 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 -58.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.56000000000000005 111.052 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.5 47.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.41999999999999998 109.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -43.95 106.4 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 2.4700000000000002 110.311 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.63 38.51 1.54 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.468 1.105 . . . . 0.72999999999999998 111.017 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.435 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.2 94.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.014 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -107.46 128.14 54.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 1.9299999999999999 110.268 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 141.43 -43.34 1.1 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 1.1299999999999999 110.953 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -174.7 161.56 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 1.8300000000000001 109.318 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -81.06 139.23 49.29 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 1.51 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 1.5700000000000001 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.86 -53.32 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.68999999999999995 109.27 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -154.69 157.84 38.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.178 . . . . 2.9900000000000002 109.243 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.9 138.92 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.55000000000000004 109.271 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -113.23 149.09 34.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 1.6000000000000001 110.28 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.971 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.8 mt -148.43 143.71 26.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.45000000000000001 109.385 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -136.09 149.26 48.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.59999999999999998 109.601 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE2' HD23 ' A' ' 4' ' ' LEU . 8.1 m-85 -154.93 121.54 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 2.5099999999999998 111.017 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -70.16 -8.17 47.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 1.49 109.947 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -153.86 43.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 4.4299999999999997 110.296 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' LEU . 9.7 t30 -40.48 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 4.8799999999999999 109.275 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 38.94 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 6.2000000000000002 109.287 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 34' ' ' SER . 45.0 t -62.81 -94.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 5.1699999999999999 109.251 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.612 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.9 m 49.65 39.95 18.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 5.3300000000000001 110.454 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' HG2' HG12 ' A' ' 86' ' ' VAL . 1.9 tp60 -177.29 53.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 5.9199999999999999 110.368 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLN . 44.1 m-85 36.98 61.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 6.29 111.035 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.658 ' HB3' HG22 ' A' ' 30' ' ' VAL . 23.7 t -102.63 152.32 21.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 1.78 110.014 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.57 -150.27 20.13 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.422 1.076 . . . . 1.3400000000000001 110.981 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.29 173.3 16.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.794 . . . . 1.1399999999999999 109.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -155.23 131.6 10.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 2.7999999999999998 109.306 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.894 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -96.39 138.48 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.291 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.729 ' H ' HD12 ' A' ' 38' ' ' LEU . 5.0 m -136.01 142.7 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.72999999999999998 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -91.96 96.46 10.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 1.74 110.988 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' THR . 9.3 t -117.98 59.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.88 110.441 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -68.18 -59.06 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.387 1.054 . . . . 1.8999999999999999 109.305 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.56 148.46 42.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 4.54 111.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 66.6 6.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.441 1.758 . . . . 4.0199999999999996 110.963 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.47 -62.88 1.5 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 4.3700000000000001 110.96 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.5 mmm -126.72 88.84 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 6.5999999999999996 111.056 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 43.16 76.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 5.9699999999999998 110.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 44.61 75.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 5.9100000000000001 109.597 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -118.45 95.55 48.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 2.52 109.995 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 140.92 25.88 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 1.6599999999999999 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -114.08 127.64 56.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 2.7599999999999998 110.957 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -65.31 140.76 58.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.432 1.083 . . . . 0.97999999999999998 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.402 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -103.5 138.48 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 1.1799999999999999 109.354 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mtmt -64.16 100.72 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 4.1399999999999997 109.313 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.97 172.69 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 109.305 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.88 149.37 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.68000000000000005 109.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.682 HG12 HG13 ' A' ' 68' ' ' ILE . 3.0 m -104.54 130.85 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 1.8400000000000001 109.235 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 m -144.56 133.02 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 1.22 110.008 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.69 153.91 42.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.84999999999999998 110.945 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.56 -151.33 11.35 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.069 -0.812 . . . . 1.8100000000000001 111.069 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -44.75 -52.5 7.67 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.007 -0.837 . . . . 2.3799999999999999 111.007 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.93 152.03 37.63 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 3.6000000000000001 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -8.26 19.77 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.587 1.835 . . . . 1.9299999999999999 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 -13.69 47.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 1.8500000000000001 109.289 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -107.21 124.92 50.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.89000000000000001 110.395 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.487 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.18 147.19 27.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 1.3799999999999999 111.074 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 59.8 t -141.86 114.54 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 1.78 109.38 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.682 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -92.48 122.77 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.58999999999999997 109.32 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.25 111.13 23.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.65000000000000002 110.392 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.98 135.3 18.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.452 1.764 . . . . 0.63 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.43 -25.27 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.77000000000000002 109.293 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.78 150.3 38.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.88 109.951 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 130.98 13.77 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.83999999999999997 111.041 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.411 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.3 mt -76.63 115.36 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.612 1.195 . . . . 0.81000000000000005 109.355 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.2 p -99.07 169.43 9.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 1.1599999999999999 110.395 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.756 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.04 157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.79000000000000004 109.31 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.21 -147.81 18.9 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.59999999999999998 111.007 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.44 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 2.2 m -154.23 134.1 13.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 0.771 . . . . 0.93000000000000005 110.395 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -136.27 175.07 9.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.128 . . . . 1.95 110.965 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.54 113.96 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 2.4100000000000001 109.352 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.894 HG22 HD13 ' A' ' 38' ' ' LEU . 38.8 t -85.12 107.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.63 109.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -94.38 117.85 30.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 2.0499999999999998 109.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.568 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 54.3 p-90 -112.34 154.55 25.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.81999999999999995 107.957 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtt180 -146.12 126.21 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 3.5299999999999998 110.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.79 96.97 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 1.1100000000000001 109.313 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.75 HG22 ' CB ' ' A' ' 92' ' ' PRO . 87.0 t -88.14 134.35 28.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 3.3500000000000001 109.241 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.477 ' HB3' ' CD2' ' A' ' 1' ' ' HIS . 1.4 m -155.54 166.31 33.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 4.04 109.997 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.72 105.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 4.29 109.975 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.5 170.61 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 7.8099999999999996 109.311 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.7 p -60.25 -42.82 96.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 5.9299999999999997 110.436 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -139.4 149.42 60.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 5.1699999999999999 109.599 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.75 ' CB ' HG22 ' A' ' 86' ' ' VAL . 18.4 Cg_endo -75.0 169.78 21.88 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 1.74 111.033 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.5 132.22 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 2.3999999999999999 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -121.13 150.53 41.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 1.02 110.393 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.568 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -159.2 160.11 30.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.67000000000000004 111.038 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.04 142.37 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 0.739 . . . . 1.0900000000000001 110.04 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.76 HG11 ' HG2' ' A' ' 9' ' ' PRO . 84.9 t -128.2 103.31 9.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.68000000000000005 109.362 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 14.6 t -85.24 145.19 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.63 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -155.31 147.43 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 1.9199999999999999 110.991 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -102.94 167.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 2.4300000000000002 109.299 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.756 HG12 ' HA ' ' A' ' 76' ' ' ALA . 96.4 t -143.34 121.65 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.63 109.308 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 2.4700000000000002 109.288 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.455 ' C ' ' CD2' ' A' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.546 -0.538 . . . . 10.6 109.546 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -55.27 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.576 1.83 . . . . 6.4199999999999999 111.026 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -136.25 152.14 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 4.7300000000000004 109.343 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -53.64 175.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.25 109.33 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.637 HG21 ' H ' ' A' ' 26' ' ' SER . 6.2 t -51.8 -76.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 1.3999999999999999 109.313 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.598 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -153.33 150.99 29.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.91000000000000003 109.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.5 p -156.85 166.52 33.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.58999999999999997 109.986 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.521 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 m -137.09 58.34 17.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.81000000000000005 110.411 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.91 -74.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.37 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.35 43.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.47999999999999998 109.331 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -41.58 107.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 2.2599999999999998 110.272 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.28 34.17 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.525 1.141 . . . . 0.76000000000000001 110.999 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.97 100.33 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.788 . . . . 1.24 110.014 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -105.45 118.7 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 1.99 110.342 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.53 -50.13 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.545 1.153 . . . . 1.0 111.024 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.94 173.76 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 0.808 . . . . 1.9099999999999999 109.302 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.609 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -81.15 134.43 52.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.55 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 163.87 34.3 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 1.23 110.992 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.41 -51.58 35.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.095 . . . . 0.81000000000000005 109.294 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.16 149.02 25.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.583 1.177 . . . . 2.9100000000000001 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.538 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -84.83 142.22 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.40999999999999998 109.349 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -114.66 149.22 37.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 2.48 110.296 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -148.32 145.3 28.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.63 109.36 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.591 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.8 m-70 -138.62 150.36 46.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.82999999999999996 109.557 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.526 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 80.7 m-85 -154.93 123.06 5.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 2.9300000000000002 110.964 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.637 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -102.78 7.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 2.4500000000000002 110.02 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -107.82 28.16 8.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 5.7300000000000004 110.335 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 58.76 96.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 5.5300000000000002 109.352 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD11 ' OG ' ' A' ' 34' ' ' SER . 2.7 tm? -87.37 89.22 7.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 7.2000000000000002 109.311 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 32' ' ' GLN . 2.7 t -74.07 153.04 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 4.2000000000000002 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' THR . 6.1 t -97.17 53.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 4.0800000000000001 110.407 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.439 ' NE2' ' HA ' ' A' ' 32' ' ' GLN . 1.5 mm-40 -102.29 -44.19 5.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 4.9199999999999999 110.336 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -136.73 14.23 3.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.386 1.054 . . . . 5.25 111.033 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.557 ' OG ' HD11 ' A' ' 29' ' ' LEU . 44.3 t -89.14 157.86 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.8300000000000001 110.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 169.97 -172.06 43.66 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 1.3200000000000001 110.96 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' CB ' HD11 ' A' ' 68' ' ' ILE . . . -153.87 149.56 27.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 1.1200000000000001 109.335 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -154.41 111.5 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 3.1699999999999999 109.316 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.939 HD13 HG22 ' A' ' 81' ' ' VAL . 10.0 tp -92.38 138.89 31.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.78000000000000003 109.246 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.739 ' H ' HD12 ' A' ' 38' ' ' LEU . 30.2 m -134.51 141.37 43.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.82999999999999996 109.251 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -92.3 96.48 10.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 2.3599999999999999 111.036 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -112.17 60.45 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 1.05 110.391 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -37.52 -56.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 2.2400000000000002 109.318 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.16 114.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 6.9000000000000004 110.96 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 148.43 35.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.544 1.813 . . . . 4.3099999999999996 111.013 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.09 -62.19 0.59 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.431 1.082 . . . . 4.04 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.83 87.99 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 8.4000000000000004 110.958 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 39.6 78.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 13.67 110.254 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -171.38 81.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 13.029999999999999 109.615 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 89.5 p -86.42 154.68 56.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 3.48 109.977 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.87 6.25 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 2.0299999999999998 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.1 mtp -124.12 155.97 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 4.0599999999999996 110.95 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.73 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -87.53 152.53 22.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.01 109.273 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.66 162.51 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.305 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -87.3 105.1 17.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 3.7400000000000002 109.352 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -139.25 169.22 18.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.65000000000000002 109.276 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.02 138.48 43.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.63 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -102.19 123.08 55.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 2.02 109.288 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 m -123.06 175.34 6.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 1.0800000000000001 109.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -133.16 151.39 20.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 1.04 111.043 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.07 62.06 4.5 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.988 -0.845 . . . . 2.0699999999999998 110.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.33 -56.13 2.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.992 -0.843 . . . . 2.9700000000000002 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.41 147.11 55.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.764 . . . . 2.75 109.37 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.35 9.84 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.442 1.759 . . . . 1.3600000000000001 110.977 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -90.99 -35.52 14.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 2.4700000000000002 109.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -90.87 134.61 34.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 1.21 110.382 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -129.81 151.08 50.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.6000000000000001 111.019 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -151.81 124.5 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.8100000000000001 109.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -94.08 120.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.55000000000000004 109.35 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.646 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.8 95.54 39.77 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.68999999999999995 110.45 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.98 135.8 19.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.779 . . . . 0.67000000000000004 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.0 -30.02 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.80000000000000004 109.343 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.39 138.17 22.5 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 1.1599999999999999 110.051 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.84 12.71 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.529 1.805 . . . . 0.92000000000000004 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 23.4 mt -76.15 116.25 16.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.542 1.152 . . . . 1.0700000000000001 109.373 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -86.29 168.13 14.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 1.0600000000000001 110.451 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.66 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.73 165.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.1 . . . . 1.01 109.268 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.14 -148.49 17.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.92000000000000004 110.953 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.421 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.1 m -137.15 131.52 32.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.417 0.716 . . . . 1.2 110.416 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 6.0 m-85 -134.58 171.43 14.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 2.0499999999999998 110.982 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 120.5 9.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 2.4700000000000002 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.939 HG22 HD13 ' A' ' 38' ' ' LEU . 34.5 t -95.92 119.04 43.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.57999999999999996 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -101.63 117.58 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 2.2999999999999998 109.302 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.566 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.0 p-90 -110.98 157.01 20.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.98999999999999999 107.988 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.26 146.96 47.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 3.29 110.294 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.536 ' O ' HG22 ' A' ' 93' ' ' ILE . . . -137.33 154.01 50.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 1.1299999999999999 109.256 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.4 p -101.18 159.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 4.0599999999999996 109.29 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.22 -51.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 3.8300000000000001 110.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -151.79 -52.54 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 4.3700000000000001 110.065 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 88' ' ' SER . 0.8 OUTLIER 159.91 161.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 7.3200000000000003 109.316 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.8 m 64.5 115.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 5.6500000000000004 110.391 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 42.6 88.36 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 7.7800000000000002 109.625 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 2.8500000000000001 110.961 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 85' ' ' ALA . 6.3 tp -103.75 134.09 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 3.2000000000000002 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 p -118.43 148.11 42.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 1.1000000000000001 110.398 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.566 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.23 154.77 26.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.397 1.061 . . . . 0.91000000000000003 111.054 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -138.85 152.91 48.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 1.02 109.964 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.839 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.7 t -141.13 105.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.52000000000000002 109.287 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.2 t -88.08 138.88 31.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.68999999999999995 110.416 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -148.62 153.52 38.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 1.8999999999999999 110.969 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -105.56 166.3 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 2.8199999999999998 109.346 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.9 t -143.8 116.37 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.76000000000000001 109.343 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 2.6200000000000001 109.313 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.6 -0.519 . . . . 11.949999999999999 109.6 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 158.96 42.18 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 5.2000000000000002 111.019 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.97 147.56 44.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 4.5999999999999996 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.13 173.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 1.01 109.238 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.739 HG21 ' H ' ' A' ' 26' ' ' SER . 92.8 t -59.32 -78.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.79000000000000004 109.306 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -142.71 148.12 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.60999999999999999 109.998 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.823 ' CB ' HD23 ' A' ' 23' ' ' LEU . 37.4 p -157.22 163.76 38.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.5 110.013 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.491 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 23.6 m -136.88 59.9 26.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.81999999999999995 110.369 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 -78.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.53000000000000003 111.024 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.48 44.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.58999999999999997 109.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.12 108.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 1.8700000000000001 110.283 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.18 36.96 0.41 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 1.1200000000000001 111.029 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.66 98.35 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 1.3300000000000001 109.98 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -104.06 121.61 43.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 2.48 110.317 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 161.45 -56.5 0.31 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.112 . . . . 1.1200000000000001 111.009 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.45 173.57 8.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 1.8100000000000001 109.261 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.45 130.7 85.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.4299999999999999 109.279 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 161.19 39.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.818 . . . . 1.1699999999999999 110.993 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.76 -59.99 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.90000000000000002 109.278 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -155.31 150.47 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 3.6000000000000001 109.264 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.598 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.77 139.87 16.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.75 109.313 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.1 tt0 -113.68 147.17 38.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 2.5 110.296 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.823 HD23 ' CB ' ' A' ' 7' ' ' SER . 9.6 mt -146.99 141.65 26.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.63 109.245 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -133.43 157.24 46.07 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.425 1.078 . . . . 0.59999999999999998 109.567 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 6.4 m-85 -155.44 120.53 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 2.46 111.016 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.739 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -73.57 -4.63 35.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.102 . . . . 1.49 109.985 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 175.77 81.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 4.5899999999999999 110.294 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.727 HD21 HG23 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -121.74 -57.64 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 5.1299999999999999 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD23 ' C ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER 40.2 86.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 5.9000000000000004 109.242 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.862 HG22 ' CB ' ' A' ' 34' ' ' SER . 45.8 t -47.55 -95.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 5.71 109.386 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.648 ' N ' HG12 ' A' ' 30' ' ' VAL . 2.1 t 43.68 38.55 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.587 1.18 . . . . 5.2199999999999998 110.43 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -150.15 -77.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 5.1200000000000001 110.222 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 31.7 m-85 -166.23 28.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 4.3600000000000003 111.059 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.862 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.1 t -87.23 153.4 21.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 1.3300000000000001 109.944 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.42 -163.36 33.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 111.01 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.661 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.16 160.61 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.91000000000000003 109.272 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.68 129.37 8.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 2.8700000000000001 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.87 HD13 HG23 ' A' ' 81' ' ' VAL . 15.8 tp -89.88 138.06 31.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.83999999999999997 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.597 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.8 m -136.59 134.36 49.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 1.02 109.337 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.553 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.6 tmm? -86.14 92.4 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 2.7599999999999998 111.031 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.607 HG21 ' NZ ' ' A' ' 80' ' ' LYS . 8.7 t -117.99 59.31 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 1.5900000000000001 110.38 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -64.94 175.4 1.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 2.6099999999999999 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 39.83 84.57 0.18 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 4.1900000000000004 110.986 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 159.55 41.4 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 5.1699999999999999 111.029 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.29 -54.52 3.58 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.14 . . . . 7.4400000000000004 111.03 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.0 mmt -95.95 109.55 21.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 0.731 . . . . 10.99 111.046 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 65.56 76.78 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 10.710000000000001 110.35 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -87.5 84.59 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 6.3899999999999997 109.618 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -115.92 91.32 30.66 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 3.54 109.958 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 108.49 2.73 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 1.95 111.035 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.7 116.28 31.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 2.46 110.978 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.82 48.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 1.24 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 p -118.56 148.91 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 1.1799999999999999 109.287 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -69.97 105.05 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 4.2300000000000004 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.63 174.14 10.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 1.0900000000000001 109.296 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.94 139.16 45.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 1.26 109.247 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.4 t -99.67 123.53 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 2.4700000000000002 109.342 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.924 ' HB2' HG23 ' A' ' 67' ' ' VAL . 23.5 m -111.25 173.02 6.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 1.8999999999999999 109.979 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.79 139.66 7.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 1.3200000000000001 110.984 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -154.11 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.999 -0.841 . . . . 2.3199999999999998 110.999 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.87 -47.45 90.49 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.97 -0.852 . . . . 2.3799999999999999 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.11 156.47 37.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 2.6499999999999999 109.343 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -1.83 11.74 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.449 1.763 . . . . 1.8999999999999999 110.976 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -85.34 -27.81 25.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.155 . . . . 1.97 109.34 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 m -90.96 126.98 36.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.87 110.355 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.408 ' HB2' ' HE2' ' A' ' 66' ' ' MET . 1.7 mpp? -125.3 149.36 48.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 1.3799999999999999 110.968 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.924 HG23 ' HB2' ' A' ' 58' ' ' SER . 0.1 OUTLIER -142.33 113.36 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.103 . . . . 1.99 109.285 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.661 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -84.68 120.56 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.65000000000000002 109.287 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.59 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.72 101.92 12.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.82999999999999996 110.385 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.9 136.29 20.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.68999999999999995 110.986 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.54 -38.79 92.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 1.29 109.269 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.07 144.13 27.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 1.24 109.957 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 127.48 10.76 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.471 1.774 . . . . 1.1899999999999999 111.006 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.663 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.7 mt -68.55 116.02 8.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.79000000000000004 109.242 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.5 p -86.2 174.26 9.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.92000000000000004 110.481 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.699 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.84 164.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 1.0800000000000001 109.318 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.82 -151.84 17.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.123 . . . . 0.94999999999999996 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.507 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 m -146.46 132.26 19.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.89000000000000001 110.387 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 1.7 m-85 -136.2 170.4 16.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 2.3700000000000001 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.607 ' NZ ' HG21 ' A' ' 41' ' ' THR . 2.1 pttt -139.72 120.59 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.175 . . . . 4.2400000000000002 109.283 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.87 HG23 HD13 ' A' ' 38' ' ' LEU . 3.4 t -86.57 109.63 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 1.0700000000000001 109.35 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.53 122.07 33.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.6499999999999999 109.268 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.1 p-90 -118.61 158.02 26.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.69999999999999996 107.976 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.4 mtt180 -143.66 116.16 8.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 3.02 110.284 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -105.17 147.84 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.77000000000000002 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.1 t -146.15 116.38 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 2.4100000000000001 109.264 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.3 m -64.82 -62.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 3.3199999999999998 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.85 -72.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.137 . . . . 3.4199999999999999 110.044 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.77 77.47 1.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 5.7599999999999998 109.249 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.7 t -167.22 167.71 13.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 6.04 110.431 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -43.88 151.3 0.52 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 6.2599999999999998 109.611 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 146.15 32.4 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.497 1.788 . . . . 2.3399999999999999 110.978 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.489 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 2.7 mp -107.6 75.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 2.8599999999999999 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 84' ' ' ARG . 71.0 p -85.32 142.66 29.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.90000000000000002 110.377 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.565 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -167.35 149.91 15.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.68999999999999995 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.8 OUTLIER -135.91 152.49 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 0.812 . . . . 1.5900000000000001 110.006 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.724 HG11 ' HG2' ' A' ' 9' ' ' PRO . 16.5 t -122.85 112.08 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.66000000000000003 109.296 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 t -89.82 136.76 32.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.81000000000000005 110.363 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.9 p90 -147.76 154.62 40.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 1.8 111.027 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' CD ' ' OG1' ' A' ' 78' ' ' THR . 10.1 mttt -105.99 166.08 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 3.9500000000000002 109.242 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.699 HG12 ' HA ' ' A' ' 76' ' ' ALA . 56.7 t -147.8 113.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.93999999999999995 109.302 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 3.0099999999999998 109.31 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.466 ' CD2' ' CE1' ' A' ' 25' ' ' PHE . 1.5 p-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.582 -0.525 . . . . 15.380000000000001 109.582 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.434 ' O ' HD13 ' A' ' 93' ' ' ILE . 18.2 Cg_endo -74.99 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.544 1.813 . . . . 9.2599999999999998 110.94 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -149.97 160.16 43.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 5.4199999999999999 109.253 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' CB ' ' CH2' ' A' ' 83' ' ' TRP . 0.6 OUTLIER -66.9 106.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.53 109.322 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.518 HG21 ' H ' ' A' ' 26' ' ' SER . 55.2 t -51.57 -69.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.67000000000000004 109.295 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -153.77 156.07 37.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.93999999999999995 110.033 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.892 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.6 p -156.72 169.04 25.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.48999999999999999 109.981 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -137.51 57.09 13.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.98999999999999999 110.393 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.973 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -74.97 -67.75 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.458 1.767 . . . . 0.51000000000000001 110.997 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.72 44.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.53000000000000003 109.252 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.54 104.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 2.8700000000000001 110.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.79 35.04 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.575 1.172 . . . . 0.92000000000000004 111.07 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.45 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -69.62 100.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 0.79 . . . . 1.5600000000000001 109.993 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -111.26 117.31 32.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.8300000000000001 110.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 151.59 -39.66 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.91000000000000003 111.061 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.36 161.79 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 1.78 109.329 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . . . -80.01 137.98 53.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 1.6799999999999999 109.308 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.64 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -74.92 135.68 19.55 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 1.5800000000000001 111.027 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.81 -47.98 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 1.0900000000000001 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.84 156.46 40.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 3.0699999999999998 109.318 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -93.04 145.08 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.5 109.218 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' OE2' ' NE2' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -112.91 151.69 30.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 2.8399999999999999 110.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -147.32 144.2 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.69999999999999996 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.427 ' NE2' ' OE2' ' A' ' 22' ' ' GLU . 59.7 m-70 -133.89 157.48 45.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 1.1200000000000001 109.58 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.466 ' CE1' ' CD2' ' A' ' 1' ' ' HIS . 36.1 m-85 -155.46 104.86 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 2.25 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.518 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -69.71 -18.02 63.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 2.0899999999999999 109.994 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -138.12 101.17 4.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 4.4100000000000001 110.258 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.703 ' C ' HD23 ' A' ' 29' ' ' LEU . 41.1 t30 -159.47 -63.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 3.5600000000000001 109.273 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.703 HD23 ' C ' ' A' ' 28' ' ' ASN . 1.2 pt? 41.29 29.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 8.3699999999999992 109.322 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.546 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 2.7 t -122.4 138.01 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 4.9699999999999998 109.244 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -39.3 -71.24 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 7.4100000000000001 110.455 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER 167.56 94.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 12.65 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 86' ' ' VAL . 3.8 m-85 -104.38 15.97 27.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 9.0500000000000007 110.972 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' A' ' 85' ' ' ALA . 7.3 p -129.07 175.76 8.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 1.8 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -154.37 -169.12 18.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.88 111.017 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -155.36 174.87 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.1699999999999999 109.341 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mtpt -155.87 132.18 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 3.8300000000000001 109.305 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 39' ' ' VAL . 9.3 tp -99.8 140.93 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 1.0700000000000001 109.307 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.71 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -136.0 132.53 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.075 . . . . 1.1299999999999999 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.562 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.47 97.37 10.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 2.0499999999999998 110.973 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 41' ' ' THR . 11.5 t -102.67 59.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 1.3999999999999999 110.398 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.86 -62.68 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.281 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.8 mtp -116.69 153.82 49.21 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 5.4100000000000001 111.027 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.814 . . . . 4.71 111.011 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 77.32 -72.15 2.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.55 1.156 . . . . 3.77 110.995 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.56 89.88 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 4.7199999999999998 110.979 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 39.74 70.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 6.6200000000000001 110.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.2 m80 53.55 87.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 6.8399999999999999 109.62 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.08 79.86 34.45 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 2.5499999999999998 110.01 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.3 25.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 1.96 111.006 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 8.7 mmt -131.14 151.15 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 3.54 111.027 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.71 140.6 29.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 1.27 109.295 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.48 HG11 HD23 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -111.6 158.2 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 1.3600000000000001 109.27 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -91.09 128.88 37.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 6.4199999999999999 109.276 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -152.82 173.83 14.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 1.04 109.313 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.84 148.17 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.77000000000000002 109.326 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.753 HG12 HG13 ' A' ' 68' ' ' ILE . 12.6 m -113.51 121.14 65.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.099 . . . . 1.8 109.332 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 m -119.9 175.37 5.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.599 1.187 . . . . 1.22 110.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.9 150.06 20.04 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.498 1.124 . . . . 1.1699999999999999 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.73 -160.73 7.87 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.038 -0.825 . . . . 2.1099999999999999 111.038 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -56.74 -27.03 54.94 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.006 -0.837 . . . . 2.21 111.006 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -115.07 148.2 40.08 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 2.6400000000000001 109.291 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -1.37 11.16 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 1.3500000000000001 110.987 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 -20.63 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.08 . . . . 3.1400000000000001 109.293 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -107.24 124.28 49.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.92000000000000004 110.375 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.526 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.47 155.99 27.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 1.27 110.993 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.36 122.7 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 1.79 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.819 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -93.1 124.89 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.56000000000000005 109.26 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.586 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -127.96 101.22 23.18 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.69999999999999996 110.381 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.08 135.16 18.58 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.84999999999999998 110.967 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.86 -41.56 71.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0600000000000001 109.272 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.5 t -76.75 144.51 73.16 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 1.8799999999999999 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 130.48 13.27 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.563 1.823 . . . . 1.72 110.978 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.7 mt -83.35 116.59 22.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 1.075 . . . . 0.76000000000000001 109.31 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.7 p -100.75 167.96 9.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.59999999999999998 110.401 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.13 166.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.54 1.15 . . . . 0.62 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.88 -152.32 16.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.398 1.061 . . . . 0.52000000000000002 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.487 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.3 m -135.46 134.82 39.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 0.783 . . . . 0.72999999999999998 110.359 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -138.77 158.69 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 1.8600000000000001 110.996 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' HE3' ' CB ' ' A' ' 96' ' ' SER . 1.6 tttp -134.3 111.61 10.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 2.6299999999999999 109.289 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.573 ' CG2' HD13 ' A' ' 38' ' ' LEU . 29.5 t -85.69 111.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.76000000000000001 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -104.58 117.26 33.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 2.3999999999999999 109.298 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.587 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.8 p-90 -104.7 141.03 37.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.76000000000000001 108.04 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.546 ' HA ' HG22 ' A' ' 94' ' ' THR . 2.4 mpt_? -117.44 110.45 18.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 3.54 110.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.725 ' HB3' HG23 ' A' ' 93' ' ' ILE . . . -94.52 86.09 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 1.73 109.23 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 33' ' ' PHE . 2.6 p -86.46 136.02 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 4.0800000000000001 109.24 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.3 p 177.34 161.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 4.8200000000000003 110.006 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.37 -171.0 0.19 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.532 1.145 . . . . 5.0999999999999996 109.989 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -80.8 103.45 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 7.4000000000000004 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 70.9 p 44.18 -161.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 6.9500000000000002 110.411 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' HD3' ' A' ' 92' ' ' PRO . 3.4 t-160 45.04 64.18 8.04 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 5.0700000000000003 109.564 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' HIS . 18.3 Cg_endo -74.96 -172.56 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 2.1200000000000001 110.947 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -139.56 114.02 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 3.7599999999999998 109.242 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 84' ' ' ARG . 77.0 p -115.38 167.63 10.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 1.21 110.411 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.587 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -150.3 174.44 29.69 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.82999999999999996 111.027 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.45 ' CB ' ' HE3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -146.18 144.72 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 0.711 . . . . 1.3999999999999999 109.994 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.973 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -133.44 101.32 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.57999999999999996 109.256 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.2 t -84.75 142.07 30.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.84999999999999998 110.384 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 26.5 p90 -158.17 146.55 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 1.75 111.035 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -97.18 171.09 8.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 2.54 109.299 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 76' ' ' ALA . 32.0 t -142.51 124.95 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.68000000000000005 109.322 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 2.3500000000000001 109.292 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.488 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.59 -0.522 . . . . 13.01 109.59 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.97 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.536 1.808 . . . . 9.2799999999999994 110.992 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.13 158.86 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.112 . . . . 8.6999999999999993 109.272 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 HD23 ' CZ ' ' A' ' 25' ' ' PHE . 1.1 tm? -54.64 105.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 1.51 109.3 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 26' ' ' SER . 53.6 t -55.52 -66.48 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.93999999999999995 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -155.81 150.67 26.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.581 1.176 . . . . 1.01 109.936 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.917 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.4 p -156.96 166.01 34.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.69999999999999996 109.999 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 8' ' ' THR . 7.3 m -137.64 59.33 19.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 1.1200000000000001 110.457 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.833 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.05 -52.59 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.515 1.798 . . . . 0.72999999999999998 110.982 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 47.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.57999999999999996 109.248 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -42.54 107.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 2.3700000000000001 110.283 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.53 34.32 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 1.01 110.961 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.627 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 2.1 m -69.71 98.6 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 1.1599999999999999 110.026 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 28.7 mt-10 -109.04 122.51 47.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 1.8899999999999999 110.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.85 -46.4 0.62 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.49 1.119 . . . . 1.1100000000000001 110.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.56 162.32 6.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 0.783 . . . . 1.7 109.327 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.557 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.52 137.32 36.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 1.4399999999999999 109.322 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.4 Cg_endo -74.98 -176.08 2.69 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.458 1.767 . . . . 1.3899999999999999 111.016 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.92 -50.28 13.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.89000000000000001 109.276 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 157.63 37.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 3.48 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.75 139.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.48999999999999999 109.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.6 mt-10 -109.29 147.7 32.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.086 . . . . 2.75 110.296 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.917 HD23 ' HB2' ' A' ' 7' ' ' SER . 15.4 mt -147.55 141.05 25.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -133.45 150.93 51.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0900000000000001 109.607 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.643 ' CZ ' HD23 ' A' ' 4' ' ' LEU . 14.1 m-85 -155.53 128.04 7.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 2.2999999999999998 110.976 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.444 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -69.97 -15.14 62.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 1.6200000000000001 110.031 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 174.04 83.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 5.2699999999999996 110.333 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.517 ' HB3' ' CG ' ' A' ' 25' ' ' PHE . 3.4 p-10 -100.68 -41.25 6.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 5.2699999999999996 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' O ' HG22 ' A' ' 31' ' ' THR . 0.9 OUTLIER 36.84 72.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 6.0599999999999996 109.307 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.772 HG13 ' HB3' ' A' ' 34' ' ' SER . 27.9 t -40.4 -91.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 5.6299999999999999 109.278 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.634 ' N ' HG12 ' A' ' 30' ' ' VAL . 12.4 t 38.06 30.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 5.3399999999999999 110.442 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -158.08 52.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 5.2300000000000004 110.312 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 43.67 60.66 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 5.6699999999999999 110.993 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.772 ' HB3' HG13 ' A' ' 30' ' ' VAL . 32.8 t -117.36 168.87 9.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 1.8400000000000001 110.028 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.0 -144.1 11.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.569 1.168 . . . . 1.55 111.013 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -154.97 172.95 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 1.1399999999999999 109.369 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -155.48 128.62 8.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 3.9700000000000002 109.274 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 ' H ' ' A' ' 39' ' ' VAL . 7.3 tp -90.23 141.89 28.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.75 109.314 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.767 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.9 m -138.51 133.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.81000000000000005 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.8 ttm -91.72 97.9 11.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 2.79 111.032 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 41' ' ' THR . 9.8 t -113.83 59.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.93000000000000005 110.411 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.685 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -81.14 136.61 35.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 3.0800000000000001 109.286 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 31.4 ttm 65.37 136.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 5.1600000000000001 111.015 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.3 Cg_endo -74.99 76.29 3.44 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.533 1.807 . . . . 3.2599999999999998 110.973 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.28 -62.13 4.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 3.1600000000000001 110.951 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.8 mmm -133.86 175.12 9.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 6.8799999999999999 111.077 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.67 89.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 7.9100000000000001 110.315 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' MET . 28.0 m-70 49.34 84.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 6.5300000000000002 109.554 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.68 76.26 74.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 2.6699999999999999 109.953 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 145.91 31.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 2.1000000000000001 110.965 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.3 mtp -110.86 108.95 18.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 2.21 110.998 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.49 138.91 45.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.93999999999999995 109.256 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.45 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.4 p -106.09 168.04 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.83999999999999997 109.339 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' H ' HG22 ' A' ' 53' ' ' VAL . 15.5 mttp -91.83 93.34 8.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 4.2800000000000002 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.89 175.32 9.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.59999999999999998 109.332 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.31 154.62 46.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.67000000000000004 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -106.9 127.08 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.8899999999999999 109.272 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -140.56 130.96 25.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.077 . . . . 1.26 110.034 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.35 165.36 54.82 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.541 1.15 . . . . 1.1899999999999999 111.009 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.32 52.23 0.79 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.942 -0.863 . . . . 2.96 110.942 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.17 -62.6 0.44 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.009 -0.836 . . . . 2.0800000000000001 111.009 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.33 154.99 37.02 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.79 . . . . 2.5499999999999998 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 0.33 9.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 1.27 110.945 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -84.86 -39.65 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 2.6600000000000001 109.301 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.7 m -100.16 129.25 46.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.25 110.423 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.514 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.83 154.27 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 1.46 111.037 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.6 t -146.15 119.27 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.75 109.28 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.568 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -93.18 122.55 44.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.522 1.139 . . . . 0.46999999999999997 109.368 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.452 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -125.31 110.07 26.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.55000000000000004 110.415 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.94 135.46 19.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.62 111.077 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.86 -20.7 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.88 109.349 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.61 152.58 42.23 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.1 . . . . 0.85999999999999999 109.957 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.61 16.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.90000000000000002 110.972 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.6 mt -82.9 116.16 22.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.93000000000000005 109.292 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.7 p -101.83 166.44 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0600000000000001 110.405 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.757 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.64 154.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.95999999999999996 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.93 -155.55 22.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.084 . . . . 0.85999999999999999 110.985 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.685 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.6 m -141.33 130.08 22.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 0.733 . . . . 0.91000000000000003 110.456 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.62 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.7 m-85 -134.27 175.11 9.8 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.394 1.059 . . . . 1.75 110.952 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.24 115.62 7.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 2.52 109.323 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.41 HG22 HD13 ' A' ' 38' ' ' LEU . 52.6 t -85.16 106.67 15.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.65000000000000002 109.362 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -93.95 110.08 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 2.3700000000000001 109.228 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 50.2 p-90 -105.76 154.22 20.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.045 -1.095 . . . . 0.83999999999999997 108.045 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -147.66 131.62 17.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 3.5800000000000001 110.363 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.7 128.51 55.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.91000000000000003 109.336 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.3 t -125.86 126.51 70.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.597 1.186 . . . . 2.9100000000000001 109.309 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 32' ' ' GLN . 25.8 t -115.84 -55.48 2.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.555 1.159 . . . . 3.3900000000000001 109.983 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.0 t -168.44 168.11 11.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 4.3799999999999999 109.948 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.0 t0 71.83 168.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 6.6200000000000001 109.279 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.5 p -97.26 56.39 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.367 1.042 . . . . 7.29 110.383 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -167.63 67.63 0.84 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 5.04 109.565 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 -165.6 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.584 1.834 . . . . 1.77 111.022 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 93' ' ' ILE . 5.8 mm -120.47 143.16 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 4.1299999999999999 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.5 p -118.81 168.83 10.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 1.1399999999999999 110.439 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -168.89 160.58 34.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.421 1.075 . . . . 0.76000000000000001 111.032 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.77 140.77 22.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 1.1499999999999999 110.018 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.833 HG11 ' HG2' ' A' ' 9' ' ' PRO . 20.2 t -128.12 103.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.57999999999999996 109.351 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -84.45 141.43 30.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.71999999999999997 110.379 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.9 p90 -152.83 149.02 27.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.9099999999999999 111.044 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.4 mtpt -104.19 166.0 10.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 2.9199999999999999 109.294 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' ' 76' ' ' ALA . 73.0 t -144.29 122.09 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.60999999999999999 109.276 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 2.4700000000000002 109.302 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.455 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.603 -0.517 . . . . 9.5800000000000001 109.603 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.1 Cg_endo -74.97 -88.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.436 1.756 . . . . 4.7300000000000004 111.028 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -149.5 147.71 28.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 5.7800000000000002 109.351 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -53.21 174.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.092 . . . . 0.95999999999999996 109.281 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.748 HG21 ' H ' ' A' ' 26' ' ' SER . 65.1 t -58.95 -80.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.78000000000000003 109.318 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.518 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -143.33 149.9 38.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.81000000000000005 110.012 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.916 ' HB2' HD23 ' A' ' 23' ' ' LEU . 62.3 p -156.24 165.08 37.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.52000000000000002 110.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.518 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m -137.87 58.58 16.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 1.1299999999999999 110.374 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.799 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.91 -63.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.53000000000000003 111.083 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 167.65 46.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.68000000000000005 109.3 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.622 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.7 OUTLIER -44.72 110.99 0.26 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 3.23 110.294 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 43.77 35.24 3.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 111.001 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.737 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -69.69 93.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 0.75 . . . . 1.3799999999999999 110.031 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -107.39 122.84 47.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 2.1000000000000001 110.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 152.92 -47.16 0.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.93000000000000005 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.03 166.4 21.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 1.74 109.258 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.779 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -72.93 137.72 79.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 1.3700000000000001 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.92 29.5 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 1.3600000000000001 110.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -53.46 55.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.70999999999999996 109.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.32 146.7 22.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 3.3199999999999998 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.3 143.2 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.46000000000000002 109.318 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.3 tt0 -117.33 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 1.5900000000000001 110.32 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.5 mt -147.47 145.08 29.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 109.361 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.473 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 60.9 m-70 -137.23 158.84 43.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.64000000000000001 109.55 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 29.8 m-85 -155.0 108.75 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.21 110.999 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.748 ' H ' HG21 ' A' ' 5' ' ' VAL . 42.5 t -70.98 -7.9 49.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 1.8400000000000001 110.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 3.5 mt-10 -108.94 -69.6 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 4.1900000000000004 110.338 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.858 ' OD1' HG23 ' A' ' 30' ' ' VAL . 5.9 t-20 160.6 154.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 3.9700000000000002 109.251 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.858 HD11 ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -104.9 -25.95 12.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 6.6900000000000004 109.238 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.858 HG23 ' OD1' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 56.13 163.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 4.2199999999999998 109.343 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' THR . 9.8 t -115.42 60.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 4.04 110.458 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.53 -66.84 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 4.9900000000000002 110.278 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -139.25 58.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 4.8700000000000001 110.998 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 t -126.27 150.84 48.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 1.51 109.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.86 167.52 31.32 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.468 1.105 . . . . 1.02 111.05 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.99 153.43 51.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.64000000000000001 109.314 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -151.71 124.18 8.35 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 3.5600000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.985 HD13 HG22 ' A' ' 81' ' ' VAL . 10.9 tp -96.42 129.52 43.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.93999999999999995 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -124.79 136.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.68000000000000005 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.0 ttm -86.64 96.38 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 2.2200000000000002 110.929 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' THR . 4.6 t -103.83 59.76 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.508 1.13 . . . . 1.0700000000000001 110.461 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.35 -57.55 7.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.314 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -133.08 164.76 41.68 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 4.5700000000000003 111.023 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 95.22 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 4.2800000000000002 111.003 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.99 -60.27 9.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 4.8099999999999996 111.057 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.12 85.32 1.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.49 0.759 . . . . 5.5899999999999999 110.947 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 54.22 66.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 6.04 110.27 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.5 t60 63.92 79.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 5.6200000000000001 109.628 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.94 80.28 7.4 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 2.6099999999999999 110.02 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 173.57 14.28 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.521 1.8 . . . . 1.8999999999999999 111.049 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -112.8 126.98 56.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 2.2999999999999998 110.986 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.68 148.78 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 1.1799999999999999 109.242 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.53 123.02 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.3200000000000001 109.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -56.44 104.65 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.15 . . . . 3.6000000000000001 109.293 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -135.27 169.62 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.63 109.236 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.41 143.24 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.70999999999999996 109.29 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 p -99.09 127.24 51.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 2.02 109.339 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -140.95 135.36 31.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.0600000000000001 109.976 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -70.66 166.46 51.5 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.582 1.176 . . . . 1.1599999999999999 110.943 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.51 -114.06 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.939 -0.865 . . . . 2.29 110.939 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.17 24.41 29.22 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.963 -0.855 . . . . 3.1200000000000001 110.963 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.25 155.61 2.27 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.444 0.732 . . . . 2.6000000000000001 109.317 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.858 ' O ' HD11 ' A' ' 29' ' ' LEU . 18.4 Cg_endo -75.0 -5.87 17.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.522 1.801 . . . . 1.49 111.014 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' HA ' HD11 ' A' ' 29' ' ' LEU . 9.4 pttm -95.29 -18.46 20.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 2.77 109.236 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.456 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.1 m -108.79 120.87 43.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.64000000000000001 110.405 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.469 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.52 159.85 15.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 1.49 111.018 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.0 t -149.87 120.18 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 1.8200000000000001 109.271 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.31 120.0 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.53000000000000003 109.218 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.87 110.79 33.03 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.545 1.153 . . . . 0.62 110.387 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.32 18.95 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.51000000000000001 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.69 -23.61 61.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.88 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.4 148.35 38.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.79000000000000004 109.968 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 128.54 11.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.72999999999999998 110.946 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.779 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 25.5 mt -77.18 115.57 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.70999999999999996 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 77.6 p -90.72 173.59 7.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.84999999999999998 110.408 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -46.91 163.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.76000000000000001 109.33 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.05 -154.58 16.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.68000000000000005 110.938 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.585 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.6 m -127.91 143.49 51.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.75 110.404 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.798 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -143.52 156.73 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 2.0299999999999998 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.473 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.79 117.37 18.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 3.0699999999999998 109.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.985 HG22 HD13 ' A' ' 38' ' ' LEU . 52.1 t -97.24 101.07 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.56000000000000005 109.275 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -88.19 126.64 35.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 1.6899999999999999 109.253 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.51 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 20.5 p-90 -123.9 157.37 34.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.48999999999999999 108.064 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 84' ' ' ARG . 4.1 mtm105 -146.38 126.68 13.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 3.96 110.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -113.4 165.62 12.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.80000000000000004 109.274 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 29' ' ' LEU . 7.3 p -135.6 146.39 29.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 2.9500000000000002 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.8 t -91.76 -53.49 4.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 3.46 110.033 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.3 t -145.43 -59.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 3.7400000000000002 110.001 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -158.88 -48.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 7.3300000000000001 109.269 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.57 64.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 4.4000000000000004 110.448 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.92 68.23 2.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 7.75 109.635 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 110.36 3.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.486 1.782 . . . . 2.5899999999999999 111.015 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.06 96.88 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 2.9199999999999999 109.336 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.8 p -88.55 152.67 21.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 1.23 110.397 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.51 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -177.25 160.09 26.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.58999999999999997 111.026 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.5 156.3 41.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.804 . . . . 0.79000000000000004 109.989 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.799 HG21 ' HG2' ' A' ' 9' ' ' PRO . 57.4 t -131.68 102.9 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.66000000000000003 109.353 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.473 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 4.9 t -85.81 142.26 29.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.56000000000000005 110.383 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -152.16 153.77 34.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.157 . . . . 1.79 110.98 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -107.78 161.68 14.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 2.5800000000000001 109.291 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.731 HG13 ' N ' ' A' ' 17' ' ' ALA . 47.8 t -135.23 121.97 34.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.468 1.105 . . . . 0.67000000000000004 109.268 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 2.75 109.296 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.607 -0.516 . . . . 9.3200000000000003 109.607 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.01 0.45 8.89 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.537 1.809 . . . . 4.8399999999999999 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.17 155.29 34.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 4.6799999999999997 109.262 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -58.02 160.1 5.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.87 109.34 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.668 HG21 ' H ' ' A' ' 26' ' ' SER . 92.5 t -57.69 -83.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.75 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -134.45 149.55 50.76 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.448 1.093 . . . . 0.54000000000000004 109.967 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.9 p -157.34 165.45 35.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.40999999999999998 109.96 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.509 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 85.8 m -138.22 59.21 17.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.52000000000000002 110.384 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.809 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.07 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.42999999999999999 110.96 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . -177.5 44.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.271 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.51 107.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 3.6299999999999999 110.314 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.94 36.16 1.79 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.427 1.079 . . . . 0.87 111.012 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.657 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -70.52 96.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 1.23 110.017 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -110.64 124.88 52.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 2.2400000000000002 110.287 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 143.52 -43.01 1.04 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.448 1.093 . . . . 1.0600000000000001 111.03 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -167.14 161.59 14.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 1.8 109.351 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -83.76 136.25 42.11 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 1.47 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.99 152.55 40.95 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 1.24 111.025 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.8 -55.13 25.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.325 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -155.2 153.35 30.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 2.6299999999999999 109.258 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -85.15 142.52 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.45000000000000001 109.262 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -117.21 150.62 38.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.74 110.257 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.962 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.59 143.55 27.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.48999999999999999 109.266 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -133.45 156.02 48.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.68999999999999995 109.513 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 5.7 m-85 -153.53 118.79 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.178 . . . . 2.5699999999999998 110.967 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.668 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -73.88 -4.74 36.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 1.54 109.975 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.5 90.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 4.7800000000000002 110.365 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.905 ' C ' HD23 ' A' ' 29' ' ' LEU . 1.5 t30 -138.91 -53.95 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 5.2599999999999998 109.281 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.905 HD23 ' C ' ' A' ' 28' ' ' ASN . 1.1 pt? 43.46 88.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 5.96 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 34' ' ' SER . 75.6 t -46.19 -93.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 5.7699999999999996 109.286 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.505 ' N ' HG12 ' A' ' 30' ' ' VAL . 10.6 t 38.62 32.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 4.9000000000000004 110.379 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 30' ' ' VAL . 1.2 mp0 -138.29 -83.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 4.9699999999999998 110.33 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -161.04 28.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 4.1699999999999999 111.018 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.753 ' HB3' HG13 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -84.49 150.85 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 1.5 110.026 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.17 -171.27 41.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.452 1.095 . . . . 0.77000000000000002 110.986 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -150.69 162.04 41.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.60999999999999999 109.337 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -155.29 128.71 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 2.5099999999999998 109.343 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.947 HD13 HG22 ' A' ' 81' ' ' VAL . 9.6 tp -98.75 143.09 29.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.67000000000000004 109.315 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.845 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -136.2 138.09 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.91000000000000003 109.327 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.566 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.7 tmm? -92.37 96.95 10.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 2.4300000000000002 111.019 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 41' ' ' THR . 9.4 t -111.06 60.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 1.22 110.369 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.63 -54.05 5.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 2.0299999999999998 109.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.78 108.82 59.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 4.6600000000000001 111.045 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -25.78 11.41 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.798 . . . . 4.6500000000000004 110.945 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.58 62.0 4.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 4.6600000000000001 111.033 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.408 ' C ' ' N ' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -149.17 63.15 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 5.7599999999999998 110.982 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 41.77 28.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 5.9299999999999997 110.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' N ' ' C ' ' A' ' 46' ' ' MET . 7.4 m80 54.91 83.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 5.6600000000000001 109.513 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.18 78.15 73.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 2.3199999999999998 109.969 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 142.24 27.37 Favored 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.508 1.793 . . . . 1.5800000000000001 110.985 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.73 107.47 18.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 2.8399999999999999 111.005 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.78 143.84 24.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.92000000000000004 109.307 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.2 p -111.72 150.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.93000000000000005 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.08 93.59 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 4.4100000000000001 109.29 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -135.02 174.4 10.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.598 1.186 . . . . 0.75 109.295 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -140.66 138.53 34.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 0.63 109.291 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -96.92 130.43 45.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.101 . . . . 1.9399999999999999 109.218 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 m -119.7 175.27 5.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 1.6599999999999999 109.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.22 138.89 8.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.568 1.168 . . . . 1.6799999999999999 110.971 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.44 -150.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.993 -0.843 . . . . 2.8900000000000001 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.06 -40.0 96.5 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.996 -0.842 . . . . 2.8100000000000001 110.996 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -107.63 160.62 26.03 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.492 0.76 . . . . 4.6900000000000004 109.307 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -0.49 10.03 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.48 1.779 . . . . 2.7000000000000002 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -84.88 -32.9 22.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 2.3399999999999999 109.349 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -91.2 119.37 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 1.05 110.375 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.709 ' HB3' HD12 ' A' ' 23' ' ' LEU . 1.9 mpp? -113.16 152.76 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 1.49 110.946 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.36 109.23 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 1.8700000000000001 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.567 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -85.11 123.62 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.58999999999999997 109.293 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.559 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -134.65 105.94 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.56999999999999995 110.415 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HB3' ' HB2' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.39 19.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.52000000000000002 111.068 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.55 87.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 1.03 109.319 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.4 150.02 38.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.1699999999999999 109.968 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 128.12 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.525 1.803 . . . . 1.0800000000000001 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 26.3 mt -70.47 116.83 11.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.3 p -88.89 174.3 8.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.84999999999999998 110.416 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.503 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -52.8 178.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.84999999999999998 109.3 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.05 -147.71 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.80000000000000004 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.727 HG23 ' HG2' ' A' ' 100' ' ' LYS . 97.2 m -140.86 143.36 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.737 . . . . 1.1000000000000001 110.354 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.618 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.4 m-85 -144.98 161.79 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 1.8799999999999999 110.887 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -137.45 114.25 10.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 2.1600000000000001 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.947 HG22 HD13 ' A' ' 38' ' ' LEU . 40.0 t -85.48 152.23 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 1.6200000000000001 109.268 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -135.09 123.52 23.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 1.9299999999999999 109.371 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.584 ' HZ3' HG22 ' A' ' 93' ' ' ILE . 44.3 p-90 -117.37 157.42 26.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.57999999999999996 107.977 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HG2' HG22 ' A' ' 94' ' ' THR . 4.8 mpp_? -145.75 116.17 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 3.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -101.91 142.69 32.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.77000000000000002 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.0 t -123.74 106.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 2.3599999999999999 109.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.9 p -55.38 179.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 3.6200000000000001 109.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.7 p -93.02 44.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 4.3300000000000001 109.994 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 89' ' ' ASP . 16.2 t0 -153.26 -72.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 5.3099999999999996 109.314 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' PRO . 10.1 t -174.45 -43.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 4.4900000000000002 110.378 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.3 99.68 0.2 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 5.96 109.572 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.1 Cg_endo -75.04 157.17 42.77 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 2.27 110.951 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.584 HG22 ' HZ3' ' A' ' 83' ' ' TRP . 35.1 mm -137.15 129.47 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 2.5699999999999998 109.255 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.557 HG22 ' HG2' ' A' ' 84' ' ' ARG . 67.9 p -130.45 147.65 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.71999999999999997 110.466 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.567 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 159.75 32.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.58999999999999997 111.002 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.7 OUTLIER -138.06 154.3 49.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.96999999999999997 109.969 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.809 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -131.66 111.0 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.68999999999999995 109.228 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.1 t -90.28 142.86 27.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.62 110.415 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.7 p90 -157.57 148.63 21.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 1.95 111.052 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.727 ' HG2' HG23 ' A' ' 78' ' ' THR . 6.7 mtmt -107.47 168.89 8.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 2.8100000000000001 109.277 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.523 HG13 ' HA ' ' A' ' 16' ' ' ALA . 57.8 t -143.8 127.52 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.68000000000000005 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 2.52 109.326 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.615 -0.513 . . . . 8.8499999999999996 109.615 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 63.76 6.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 5.5499999999999998 111.057 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -149.7 125.35 10.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 4.6600000000000001 109.304 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -67.42 173.22 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.82999999999999996 109.299 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 6' ' ' SER . 20.4 t -56.56 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.68000000000000005 109.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.554 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -143.63 149.88 37.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.5 110.019 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.933 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.8 p -157.56 166.32 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.35999999999999999 110.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.528 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m -136.74 58.19 18.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.79000000000000004 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.715 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.528 1.804 . . . . 0.64000000000000001 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.42 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.70999999999999996 109.277 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -50.06 109.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.424 1.078 . . . . 2.6400000000000001 110.297 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.34 56.28 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.537 1.148 . . . . 1.3300000000000001 111.044 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.49 129.27 54.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 2.3500000000000001 109.959 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -101.39 137.19 40.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 4.21 110.358 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -156.39 -117.63 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 1.97 110.975 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.19 84.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 0.795 . . . . 4.5199999999999996 109.303 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 65.51 90.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 2.9199999999999999 109.315 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.846 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -74.92 -172.09 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.567 1.825 . . . . 2.2200000000000002 111.001 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.72 -71.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.82999999999999996 109.333 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.5 152.27 28.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 2.71 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -85.08 145.04 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.62 109.294 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.01 148.13 34.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 2.9300000000000002 110.252 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.6 mt -148.9 147.09 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.471 1.107 . . . . 0.47999999999999998 109.252 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 4' ' ' LEU . 50.6 m-70 -138.62 152.51 48.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.53000000000000003 109.606 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 74.0 m-85 -150.56 96.13 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 2.2200000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -70.19 -6.8 37.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 2.0499999999999998 110.012 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.78 89.97 2.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 4.1399999999999997 110.321 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' A' ' 30' ' ' VAL . 9.3 t30 -156.31 -77.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 3.7400000000000002 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 41.16 38.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 7.4299999999999997 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.54 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 2.6 t -141.36 133.42 28.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 4.8899999999999997 109.318 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 31' ' ' THR . 6.2 t -115.63 54.69 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 3.6699999999999999 110.408 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -99.75 -77.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 4.71 110.363 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' HB2' ' CG2' ' A' ' 86' ' ' VAL . 5.9 m-85 -116.9 56.42 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 4.3099999999999996 111.019 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.4 p -120.84 116.87 26.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 2.5499999999999998 109.952 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -171.53 -174.17 38.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.598 1.186 . . . . 0.97999999999999998 110.955 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -153.75 164.03 39.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.793 . . . . 0.68000000000000005 109.263 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.34 123.98 7.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 2.6299999999999999 109.309 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 74' ' ' LEU . 8.4 tp -86.98 140.49 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.256 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.5 m -139.23 132.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.51 1.131 . . . . 0.84999999999999998 109.324 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.575 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -84.76 94.35 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 3.3199999999999998 110.992 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 41' ' ' THR . 9.9 t -119.51 59.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 1.4199999999999999 110.373 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.489 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -43.95 164.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.6499999999999999 109.335 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.4 ptm -39.88 157.68 0.15 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.065 . . . . 4.7400000000000002 110.961 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.93 38.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 4.3600000000000003 111.009 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.6 -60.69 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 4.4199999999999999 110.996 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.94 91.51 3.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 0.779 . . . . 8.4700000000000006 110.993 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 67.18 78.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 11.82 110.275 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -85.47 73.92 10.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 5.7400000000000002 109.611 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 m -139.52 130.62 14.67 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.118 . . . . 2.4500000000000002 110.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 102.54 1.6 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.473 1.775 . . . . 2.3599999999999999 111.01 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.3 mtp -96.16 106.94 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 2.29 110.955 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -47.51 142.19 4.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 1.25 109.269 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.8 p -108.04 167.4 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 1.02 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -86.35 81.9 8.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 3.9500000000000002 109.356 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -122.13 174.78 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.67000000000000004 109.281 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.11 143.0 26.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.80000000000000004 109.287 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG12 HG13 ' A' ' 68' ' ' ILE . 33.4 m -100.61 130.08 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 2.0099999999999998 109.299 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -140.06 133.53 30.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.1899999999999999 110.022 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.88 158.01 50.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 1.0800000000000001 111.002 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.29 -125.36 1.04 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.933 -0.867 . . . . 2.1499999999999999 110.933 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.2 33.82 4.9 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.959 -0.856 . . . . 3.4300000000000002 110.959 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -179.24 151.4 0.64 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 2.52 109.269 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.88 20.48 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 1.5800000000000001 110.977 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.26 -12.62 32.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 1.95 109.303 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -110.15 125.1 52.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.75 110.437 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.481 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -108.9 149.77 28.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.946 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 75.0 t -144.82 115.69 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 1.76 109.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.773 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.13 119.78 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.68000000000000005 109.31 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.77 101.15 20.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.5 110.399 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 137.21 21.33 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.62 110.98 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.47 -25.55 65.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.69999999999999996 109.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.85 142.47 25.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.611 1.194 . . . . 0.80000000000000004 110.002 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 134.95 18.57 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.447 1.761 . . . . 0.93000000000000005 111.021 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.85 HD21 HD21 ' A' ' 38' ' ' LEU . 24.5 mt -66.95 116.13 7.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.1000000000000001 109.348 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ALA . 45.5 p -87.56 160.26 18.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 1.1100000000000001 110.404 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -40.57 140.34 0.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 1.1799999999999999 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.57 -154.66 22.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.75 111.004 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.551 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -135.8 143.06 45.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 0.802 . . . . 0.92000000000000004 110.374 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 5.9 m-85 -143.35 175.22 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 2.1099999999999999 110.981 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 125.69 13.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 2.5099999999999998 109.244 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.562 HG22 HD13 ' A' ' 38' ' ' LEU . 89.2 t -96.32 113.16 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.17 . . . . 0.57999999999999996 109.3 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.76 113.03 24.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 1.79 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.533 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -108.51 161.12 15.35 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.981 -1.118 . . . . 0.46999999999999997 107.981 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' HG2' HG22 ' A' ' 94' ' ' THR . 6.1 mtp-105 -148.43 118.65 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 5.8399999999999999 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.61 ' HB3' ' CG1' ' A' ' 93' ' ' ILE . . . -100.33 162.09 13.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.91000000000000003 109.308 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 33' ' ' PHE . 8.3 p -129.7 153.01 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 3.4300000000000002 109.324 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.9 t -124.35 -61.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 3.4500000000000002 110.021 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 170.0 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 3.48 109.994 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.655 ' O ' HG22 ' A' ' 90' ' ' THR . 0.3 OUTLIER 59.8 -177.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 6.1100000000000003 109.288 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 89' ' ' ASP . 12.7 t 47.76 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 4.2999999999999998 110.446 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -79.37 149.0 71.59 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 8.9600000000000009 109.582 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' HG2' ' NH2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.01 176.61 9.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 3.0800000000000001 111.016 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.61 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 46.4 pt -97.14 121.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 3.1299999999999999 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.569 HG22 ' HG2' ' A' ' 84' ' ' ARG . 72.3 p -93.08 150.85 20.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 1.155 . . . . 0.81000000000000005 110.394 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.533 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -154.71 155.5 26.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 110.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.35 147.51 39.92 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.464 0.744 . . . . 0.88 110.044 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.715 HG11 ' HG2' ' A' ' 9' ' ' PRO . 46.3 t -136.59 103.0 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.55000000000000004 109.28 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.1 t -86.44 137.21 32.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.63 110.329 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 19.7 p90 -144.76 157.22 44.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.0099999999999998 110.976 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -103.65 164.85 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 3.0800000000000001 109.34 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 5.0 t -148.11 115.86 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0900000000000001 109.248 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.6 mmtt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 2.9100000000000001 109.316 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.564 -0.532 . . . . 11.199999999999999 109.564 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.0 43.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 5.25 111.007 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -149.87 150.31 31.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 6.1399999999999997 109.307 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.793 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.07 171.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 1.05 109.299 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.741 HG21 ' H ' ' A' ' 26' ' ' SER . 79.3 t -54.21 -79.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.593 1.183 . . . . 0.85999999999999999 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -148.55 144.75 27.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.77000000000000002 110.005 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.83 ' HB2' HD23 ' A' ' 23' ' ' LEU . 60.4 p -155.92 165.37 36.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.35999999999999999 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.533 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 56.4 m -137.18 57.83 16.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.55000000000000004 110.367 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.763 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -62.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.45000000000000001 110.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 171.43 47.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.40999999999999998 109.247 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -42.17 107.52 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 2.1200000000000001 110.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.59 37.28 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.417 1.073 . . . . 0.78000000000000003 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.421 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -73.15 100.55 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 1.21 109.998 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -105.85 119.95 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 2.29 110.222 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.34 -49.72 0.4 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.413 1.071 . . . . 1.1100000000000001 111.026 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.46 172.58 4.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 1.8899999999999999 109.265 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -84.02 134.98 42.8 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 1.51 109.265 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.71 12.32 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 1.1799999999999999 110.961 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.15 -53.91 11.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.71999999999999997 109.303 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 151.24 29.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 2.48 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.76 139.66 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.44 109.29 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.1 tt0 -110.9 148.13 33.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 1.8600000000000001 110.337 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.9 mt -147.21 143.12 27.94 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.486 1.116 . . . . 0.56000000000000005 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.563 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 53.8 m-70 -140.26 158.68 43.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.485 1.115 . . . . 0.81000000000000005 109.567 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CD2' HD13 ' A' ' 29' ' ' LEU . 17.2 m-85 -155.24 110.57 3.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 2.1600000000000001 111.06 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.741 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.6 m -69.44 -8.13 43.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 1.8899999999999999 109.957 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' OE2' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -115.04 145.78 41.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 6.46 110.275 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -42.73 131.0 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 5.5 109.27 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.78 HD23 ' HE1' ' A' ' 66' ' ' MET . 15.5 tp -119.18 84.28 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 7.2300000000000004 109.331 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 31' ' ' THR . 0.9 OUTLIER -71.13 162.21 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 4.3899999999999997 109.327 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.731 HG23 ' O ' ' A' ' 31' ' ' THR . 10.5 t -100.22 56.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.603 1.19 . . . . 4.1799999999999997 110.349 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.512 ' CB ' HG21 ' A' ' 86' ' ' VAL . 1.8 mm-40 -98.93 -44.1 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 5.6299999999999999 110.332 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.824 ' HB2' HG23 ' A' ' 86' ' ' VAL . 40.9 m-85 -149.59 21.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 4.4199999999999999 111.058 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 t -92.81 145.45 24.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.54 110.096 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 172.59 -173.84 45.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.55 1.156 . . . . 0.98999999999999999 111.0 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.29 153.9 31.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.71999999999999997 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -152.31 124.15 7.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.572 1.17 . . . . 2.79 109.264 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD12 ' N ' ' A' ' 39' ' ' VAL . 5.0 tp -95.33 129.9 42.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.73999999999999999 109.303 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.731 ' N ' HD12 ' A' ' 38' ' ' LEU . 33.6 m -124.58 138.27 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.68000000000000005 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.7 tmm? -93.0 95.58 9.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 2.23 111.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' ALA . 1.5 t -115.05 73.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.03 110.41 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' THR . . . -39.97 -55.97 1.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 2.23 109.294 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.34 116.48 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 6.5199999999999996 110.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 124.78 8.82 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.532 1.806 . . . . 4.4199999999999999 110.99 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 163.03 -55.15 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.46 1.1 . . . . 4.04 110.994 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 81.4 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 9.3599999999999994 111.063 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 42.29 81.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 13.26 110.321 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.56 89.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 12.98 109.59 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.45 160.29 48.33 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 3.4700000000000002 110.04 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.04 7.63 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 1.8 111.079 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.1 mtt -124.83 151.94 44.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.178 . . . . 3.0299999999999998 110.936 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.33 151.4 25.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.94999999999999996 109.281 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.6 p -105.41 165.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.85999999999999999 109.277 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -88.51 100.74 13.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 3.6200000000000001 109.233 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -147.5 172.2 14.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.81999999999999995 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.03 141.58 31.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.66000000000000003 109.342 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.0 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.98 109.285 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 67' ' ' VAL . 1.4 m -131.59 138.34 48.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 1.03 109.995 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.42 163.09 23.8 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.56 1.163 . . . . 0.96999999999999997 111.001 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -102.96 71.36 0.29 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.939 -0.864 . . . . 1.9299999999999999 110.939 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.97 -65.76 1.18 Allowed Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.958 -0.857 . . . . 3.04 110.958 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -74.23 139.84 75.96 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 2.2400000000000002 109.283 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.22 12.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 1.4399999999999999 111.032 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.55 -15.52 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 2.8399999999999999 109.309 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -107.58 133.68 51.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 1.05 110.413 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.78 ' HE1' HD23 ' A' ' 29' ' ' LEU . 1.9 mpp? -133.32 147.64 51.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 1.55 110.977 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER -146.33 117.66 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 1.8899999999999999 109.274 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.503 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -86.22 126.93 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.53000000000000003 109.265 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -128.68 111.61 19.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.117 . . . . 0.58999999999999997 110.424 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 134.67 18.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.53 1.805 . . . . 0.78000000000000003 111.074 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.64 -21.67 59.32 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.549 1.155 . . . . 0.77000000000000002 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.25 156.88 45.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.94999999999999996 110.034 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.32 12.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.789 . . . . 0.87 110.958 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.5 mt -76.18 115.96 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.70999999999999996 109.325 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.4 p -85.3 163.34 18.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 1.1599999999999999 110.372 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.645 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.88 109.33 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.01 -153.15 17.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.443 1.089 . . . . 0.76000000000000001 111.012 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.515 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 69.5 m -131.27 140.17 49.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.88 110.4 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.712 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -139.98 168.55 19.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 1.99 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -140.64 122.49 15.44 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.448 1.092 . . . . 2.8599999999999999 109.35 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.586 HG22 HD13 ' A' ' 38' ' ' LEU . 94.3 t -98.48 101.56 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.64000000000000001 109.283 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.1 120.25 28.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 1.8899999999999999 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.499 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 22.0 p-90 -116.93 159.09 22.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.54000000000000004 108.072 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HG2' HG22 ' A' ' 94' ' ' THR . 86.5 mtt180 -145.24 144.41 30.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 3.2799999999999998 110.37 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.996 ' HB3' ' CG2' ' A' ' 93' ' ' ILE . . . -124.65 155.29 39.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.92000000000000004 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.824 HG23 ' HB2' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -107.16 174.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 3.4399999999999999 109.321 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.411 ' H ' HG22 ' A' ' 86' ' ' VAL . 86.9 p -125.84 -173.84 2.94 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 4.54 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.84 -54.45 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 4.2599999999999998 110.024 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -81.67 -68.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 6.8099999999999996 109.341 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.3 t -171.59 179.49 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 4.3799999999999999 110.415 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 70.84 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 4.8700000000000001 109.648 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 2.0899999999999999 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.996 ' CG2' ' HB3' ' A' ' 85' ' ' ALA . 14.7 tt -137.71 137.36 45.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 3.3199999999999998 109.256 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 84' ' ' ARG . 44.4 p -122.85 138.24 54.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.96999999999999997 110.441 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.499 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.38 163.12 31.87 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.434 1.084 . . . . 0.70999999999999996 111.021 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.86 156.8 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 0.799 . . . . 1.1899999999999999 109.983 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.763 HG11 ' HG2' ' A' ' 9' ' ' PRO . 21.4 t -131.44 110.55 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.52000000000000002 109.329 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.46 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 14.0 t -88.7 141.32 28.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.68000000000000005 110.399 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 13.1 p90 -151.01 149.93 30.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 1.9099999999999999 110.964 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -102.76 166.27 10.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 5.3099999999999996 109.218 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.7 t -144.94 112.2 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.70999999999999996 109.285 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 2.7999999999999998 109.311 179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.638 -0.504 . . . . 11.44 109.638 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 165.4 31.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.588 1.836 . . . . 4.5800000000000001 111.009 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -131.96 165.28 24.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 4.96 109.296 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.31 174.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.92000000000000004 109.302 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.43 -78.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.284 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.563 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -144.82 149.86 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.396 1.06 . . . . 0.67000000000000004 110.027 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.931 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.4 p -157.38 163.26 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.44 109.967 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.3 m -136.93 58.67 19.31 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.57999999999999996 110.347 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.805 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.0 -73.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.578 1.83 . . . . 0.54000000000000004 110.967 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.656 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -176.12 46.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.47999999999999998 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.518 ' HA ' HG13 ' A' ' 97' ' ' VAL . 1.9 mt-10 -45.08 108.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 2.73 110.302 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.98 38.46 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.48 1.113 . . . . 0.71999999999999997 111.026 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.48 94.5 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.56 0.8 . . . . 1.3 110.001 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.96 124.58 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 2.3799999999999999 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.15 -56.98 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.446 1.091 . . . . 0.91000000000000003 111.035 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.626 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -164.63 172.86 12.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 1.74 109.25 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.74 135.22 71.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 1.3799999999999999 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.03 162.57 36.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 1.1299999999999999 110.931 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -58.49 5.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.82999999999999996 109.265 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 151.63 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 2.4399999999999999 109.331 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.97 133.07 30.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.47999999999999998 109.279 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.471 ' OE2' HG13 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -107.52 147.76 30.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 4.6699999999999999 110.34 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.931 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -147.31 143.88 28.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.48999999999999999 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.419 ' O ' HD23 ' A' ' 4' ' ' LEU . 53.3 m-70 -135.55 156.04 49.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.488 1.118 . . . . 0.63 109.585 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.776 ' CG ' HD23 ' A' ' 29' ' ' LEU . 38.3 m-85 -154.97 93.51 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 2.0499999999999998 110.986 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -7.66 42.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 1.8799999999999999 109.983 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -105.02 34.83 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 4.46 110.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 1.7 t-20 61.44 144.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 4.7599999999999998 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 25' ' ' PHE . 1.3 tm? -131.34 104.17 6.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 7.0800000000000001 109.304 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 t -93.73 156.86 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 3.96 109.326 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 31' ' ' THR . 6.4 t -106.26 61.92 0.65 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 4.4800000000000004 110.423 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -103.12 -44.69 5.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 4.71 110.339 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.452 ' CD1' ' OD1' ' A' ' 89' ' ' ASP . 45.8 m-85 -144.72 16.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 4.3700000000000001 111.002 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 1.3 t -89.52 162.68 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 1.48 109.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 164.67 -175.72 40.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.79000000000000004 111.039 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.89 159.8 40.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.72999999999999998 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -154.87 124.77 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 2.5600000000000001 109.287 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.076 HD13 HG22 ' A' ' 81' ' ' VAL . 12.3 tp -94.33 138.16 32.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.60999999999999999 109.302 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.687 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.1 m -138.07 137.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.70999999999999996 109.243 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 7.0 ttt -93.81 97.98 10.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 2.3399999999999999 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.88 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.94999999999999996 110.382 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -61.57 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 2.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.415 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 37.1 mtt -127.79 138.77 33.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 4.04 110.984 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.2 Cg_endo -75.01 89.25 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 3.5 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.32 -62.58 5.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 3.8300000000000001 111.02 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.8 mmt -133.96 91.91 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.761 . . . . 5.0599999999999996 110.975 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 50.1 79.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 6.29 110.243 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 47.58 89.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 5.7000000000000002 109.549 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.88 78.78 23.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 2.2999999999999998 109.968 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 139.61 24.33 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 1.28 111.035 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.2 mmt -113.79 121.74 44.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 2.3300000000000001 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.53 149.18 49.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.77000000000000002 109.277 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -122.92 146.23 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.83999999999999997 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.8 120.16 15.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 4.1600000000000001 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -144.04 175.24 10.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.63 109.331 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.87 141.16 49.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.92000000000000004 109.225 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG12 HG13 ' A' ' 68' ' ' ILE . 2.7 m -119.1 123.08 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 2.0499999999999998 109.333 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.4 m -140.35 175.73 9.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 1.5800000000000001 109.982 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.77 153.1 16.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.80000000000000004 111.018 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.1 -124.34 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.98 -0.848 . . . . 1.9299999999999999 110.98 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -95.85 30.63 8.18 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.983 -0.847 . . . . 3.1099999999999999 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -179.44 154.64 0.75 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.447 0.734 . . . . 2.6299999999999999 109.307 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -6.5 18.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.455 1.766 . . . . 1.27 110.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -11.79 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 3.2000000000000002 109.234 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.41 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.3 m -114.78 120.09 38.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.68000000000000005 110.395 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.479 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.99 161.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 1.29 110.997 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.474 HG23 ' C ' ' A' ' 66' ' ' MET . 95.8 t -155.59 117.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.5700000000000001 109.331 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.534 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -95.86 132.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.427 1.079 . . . . 0.65000000000000002 109.295 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -135.9 109.2 9.94 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.48999999999999999 110.427 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.5 Cg_endo -74.95 134.62 18.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.46000000000000002 111.074 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.41 -26.9 64.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.67000000000000004 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.42 146.44 32.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.77000000000000002 109.94 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.52 11.55 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.445 1.761 . . . . 0.78000000000000003 110.956 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 27.4 mt -77.07 116.13 17.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.66000000000000003 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 74.2 p -89.6 174.92 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.85999999999999999 110.442 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.652 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -45.73 167.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.72999999999999998 109.347 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 -154.48 16.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.57999999999999996 111.066 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 m -138.69 137.52 36.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.616 0.833 . . . . 0.81000000000000005 110.364 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.649 ' HB3' HD11 ' A' ' 38' ' ' LEU . 3.9 m-85 -136.82 163.76 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 1.95 110.971 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.41 113.54 11.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 2.1400000000000001 109.329 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.076 HG22 HD13 ' A' ' 38' ' ' LEU . 33.9 t -91.83 104.01 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.311 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.35 124.1 33.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.113 . . . . 1.8799999999999999 109.186 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.611 ' HE1' HG23 ' A' ' 97' ' ' VAL . 23.4 p-90 -117.94 159.84 22.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.60999999999999999 108.029 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 34' ' ' SER . 45.0 mtt180 -146.16 120.15 9.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 2.8900000000000001 110.287 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.616 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . . . -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.78000000000000003 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 86' ' ' VAL . 4.7 t -144.57 85.96 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 2.3399999999999999 109.37 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.48 -41.13 2.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 3.7000000000000002 109.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 5.3 t -147.34 -60.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 4.0899999999999999 109.968 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.452 ' OD1' ' CD1' ' A' ' 33' ' ' PHE . 2.9 m-20 160.54 -32.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 8.3300000000000001 109.344 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.8 m -52.26 -55.99 17.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 5.0700000000000003 110.44 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -121.19 96.66 48.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.421 1.076 . . . . 6.2000000000000002 109.601 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.22 37.49 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 2.5899999999999999 111.059 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 8.9 mm -134.35 128.96 52.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 2.7400000000000002 109.302 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.4 p -125.56 138.17 53.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.92000000000000004 110.336 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA3' ' CH2' ' A' ' 83' ' ' TRP . . . -164.62 163.15 36.06 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.64000000000000001 110.933 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -141.65 166.02 25.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 0.758 . . . . 1.3600000000000001 110.036 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.805 HG21 ' HG2' ' A' ' 9' ' ' PRO . 65.2 t -136.88 111.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.66000000000000003 109.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.2 t -93.37 139.75 30.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.59999999999999998 110.402 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -143.24 153.94 43.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 1.9399999999999999 110.978 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -110.36 157.53 19.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 2.5699999999999998 109.253 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 76' ' ' ALA . 98.2 t -138.35 117.39 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.70999999999999996 109.288 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 3.2799999999999998 109.253 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.504 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.54 -0.541 . . . . 9.4199999999999999 109.54 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 1' ' ' HIS . 18.5 Cg_endo -74.99 58.18 4.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 5.3899999999999997 111.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -146.56 137.24 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 4.0300000000000002 109.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -53.91 174.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.95999999999999996 109.292 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.79 HG21 ' H ' ' A' ' 26' ' ' SER . 64.8 t -57.73 -81.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.67000000000000004 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.504 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -140.17 146.62 39.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.63 110.016 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.954 ' HB2' HD23 ' A' ' 23' ' ' LEU . 68.1 p -156.31 166.07 34.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.40000000000000002 109.944 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.515 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 93.5 m -136.98 58.82 19.54 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.55000000000000004 110.401 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.735 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.01 -65.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.457 1.767 . . . . 0.44 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.22 45.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.46999999999999997 109.248 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -47.82 107.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 2.25 110.305 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.25 51.27 2.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.98999999999999999 111.005 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.49 116.49 32.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 1.78 109.981 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -105.23 124.22 49.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 1.78 110.347 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.19 -85.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.129 . . . . 1.1299999999999999 111.025 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' C ' HG13 ' A' ' 101' ' ' VAL . . . -173.39 -165.13 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 2.04 109.231 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.481 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -52.79 107.94 0.97 Allowed Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.464 1.103 . . . . 2.96 109.322 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.4 Cg_endo -75.0 -172.26 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 2.2000000000000002 111.046 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.09 -72.87 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.89000000000000001 109.283 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 159.35 39.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.444 1.09 . . . . 2.3500000000000001 109.304 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.541 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -90.68 141.52 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.47999999999999998 109.251 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -112.75 149.89 32.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 2.4399999999999999 110.316 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.7 mt -147.23 142.66 27.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.524 ' CD2' ' OE1' ' A' ' 22' ' ' GLU . 56.2 m-70 -137.53 159.78 40.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.70999999999999996 109.556 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 51.3 m-85 -155.95 141.0 17.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 2.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.79 ' H ' HG21 ' A' ' 5' ' ' VAL . 1.5 m -82.44 -27.41 31.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.5700000000000001 110.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -159.24 131.38 6.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 4.5499999999999998 110.34 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 29' ' ' LEU . 6.0 t30 -157.39 -74.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 3.77 109.287 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.772 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER 36.4 69.18 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 7.2199999999999998 109.248 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.777 HG12 HG11 ' A' ' 86' ' ' VAL . 3.5 t -162.33 144.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 4.8399999999999999 109.307 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 31' ' ' THR . 13.2 t -134.26 48.11 2.35 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.58 1.175 . . . . 3.77 110.402 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -99.23 -62.66 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 6.1799999999999997 110.279 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -134.31 64.64 1.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 4.4900000000000002 111.025 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.1 p -125.88 120.87 31.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 2.6899999999999999 109.988 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.74 -178.09 48.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.80000000000000004 110.95 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -151.88 168.8 23.97 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.545 0.791 . . . . 0.77000000000000002 109.276 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -155.06 127.77 8.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 2.3599999999999999 109.275 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.869 HD12 ' H ' ' A' ' 39' ' ' VAL . 6.3 tp -96.03 142.55 28.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.68999999999999995 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.869 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.5 m -139.03 132.95 40.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.69999999999999996 109.292 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.9 ttt -85.89 97.36 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 2.1899999999999999 111.055 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 41' ' ' THR . 12.2 t -108.68 59.59 0.6 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.80000000000000004 110.43 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -84.72 132.46 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 3.0699999999999998 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.9 ttm 49.4 99.22 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 5.4100000000000001 110.969 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 103.09 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 2.8700000000000001 111.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.7 -52.29 0.81 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.612 1.195 . . . . 2.9500000000000002 111.009 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 75.15 3.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 4.7999999999999998 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 40.35 59.76 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 6.0099999999999998 110.286 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' ' HG1' ' A' ' 41' ' ' THR . 1.2 t-160 47.37 90.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 6.5099999999999998 109.546 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.8 t -113.83 92.3 24.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 2.3100000000000001 109.973 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 135.7 19.54 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.445 1.761 . . . . 1.3700000000000001 111.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.5 mtm -110.75 109.74 20.09 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 3.6400000000000001 111.018 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.45 130.15 23.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.75 109.25 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -96.54 157.08 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.84999999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -82.35 98.05 8.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 4.8200000000000003 109.262 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -138.42 175.2 9.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.65000000000000002 109.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.2 140.69 24.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 1.143 . . . . 0.64000000000000001 109.327 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.3 128.84 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 2.1200000000000001 109.336 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -132.62 126.96 33.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 1.21 109.984 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -65.44 163.47 39.22 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 1.21 111.035 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.3 49.68 0.84 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.039 -0.824 . . . . 2.6600000000000001 111.039 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.13 -65.04 0.45 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.961 -0.856 . . . . 2.29 110.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -97.06 160.66 28.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 3.2799999999999998 109.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' O ' ' HE1' ' A' ' 66' ' ' MET . 18.1 Cg_endo -75.1 -7.46 19.09 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.572 1.827 . . . . 1.3500000000000001 110.961 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -30.38 21.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 2.3300000000000001 109.304 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.9 m -100.8 129.91 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.66000000000000003 110.44 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.578 ' HE1' ' O ' ' A' ' 63' ' ' PRO . 1.2 mpp? -120.42 160.83 22.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 1.5 110.944 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG23 ' C ' ' A' ' 66' ' ' MET . 87.4 t -153.63 115.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 1.6599999999999999 109.293 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.422 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -87.5 123.25 40.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.396 1.06 . . . . 0.53000000000000003 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.35 110.88 17.93 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.56000000000000005 110.371 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.07 135.36 18.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.57999999999999996 110.973 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.05 -22.94 65.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.69999999999999996 109.278 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.7 152.4 51.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 1.1499999999999999 110.021 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 134.46 17.71 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 1.1399999999999999 110.953 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.68 HD13 ' CZ ' ' A' ' 99' ' ' PHE . 27.8 mt -70.98 116.98 11.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.84999999999999998 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.3 p -84.79 158.29 20.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.81000000000000005 110.404 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.71 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -43.72 143.14 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.90000000000000002 109.256 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.86 -155.13 24.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.455 1.097 . . . . 0.52000000000000002 111.025 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.697 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 47.5 m -132.45 136.84 46.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.62 110.449 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.862 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -136.73 162.52 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 1.97 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.0 OUTLIER -131.46 117.48 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 3.1499999999999999 109.369 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.545 HG22 HD13 ' A' ' 38' ' ' LEU . 97.0 t -93.9 99.63 9.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.5 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.65 109.01 19.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 1.8700000000000001 109.269 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 46.8 p-90 -107.26 161.15 15.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.51000000000000001 108.033 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HG2' HG22 ' A' ' 94' ' ' THR . 56.4 mtm180 -147.38 118.13 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 4.0199999999999996 110.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.88 156.74 16.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.94999999999999996 109.236 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.777 HG11 HG12 ' A' ' 30' ' ' VAL . 10.8 p -103.1 171.37 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 3.8500000000000001 109.316 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.539 ' H ' HG22 ' A' ' 86' ' ' VAL . 18.8 t -127.65 -59.64 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.409 1.068 . . . . 3.6899999999999999 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -176.69 -60.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.107 . . . . 3.4100000000000001 109.947 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -139.08 -54.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 4.8300000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -49.48 160.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 4.5800000000000001 110.387 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 0.4 OUTLIER -40.62 139.56 1.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 6.6200000000000001 109.671 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 91' ' ' HIS . 18.1 Cg_endo -74.99 161.36 38.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 2.5600000000000001 110.986 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.2 mm -88.54 136.55 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 3.0299999999999998 109.295 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.431 HG22 ' HG2' ' A' ' 84' ' ' ARG . 57.8 p -110.04 148.95 30.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.76000000000000001 110.459 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.39 158.96 29.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.44 110.982 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.82 154.29 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.70999999999999996 109.97 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.735 HG11 ' HG2' ' A' ' 9' ' ' PRO . 14.6 t -140.01 101.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.429 1.081 . . . . 0.45000000000000001 109.257 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 6.2 t -85.98 134.55 33.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.399 1.062 . . . . 0.52000000000000002 110.383 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.68 ' CZ ' HD13 ' A' ' 74' ' ' LEU . 3.8 p90 -140.95 149.5 41.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 1.8400000000000001 111.005 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -103.95 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 2.2599999999999998 109.307 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 76' ' ' ALA . 72.1 t -141.07 112.51 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.55000000000000004 109.289 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 2.52 109.307 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.497 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.608 -0.516 . . . . 8.8200000000000003 109.608 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.08 148.98 35.73 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 4.4500000000000002 110.993 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.51 164.88 20.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 4.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -55.01 169.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.87 109.245 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.734 HG21 ' H ' ' A' ' 26' ' ' SER . 91.5 t -59.43 -83.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.67000000000000004 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.411 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -142.73 146.91 34.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.52000000000000002 110.084 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.821 ' HB2' HD23 ' A' ' 23' ' ' LEU . 49.4 p -156.52 163.81 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.35999999999999999 109.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.505 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 52.2 m -136.73 59.36 23.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.63 110.385 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.877 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.99 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.412 1.743 . . . . 0.45000000000000001 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 170.29 46.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.118 . . . . 0.39000000000000001 109.351 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.12 104.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 2.9700000000000002 110.316 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.78 36.59 2.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.69999999999999996 111.032 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.82 93.83 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.24 110.037 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -104.54 125.09 50.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.97 110.279 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -49.7 0.59 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.567 1.167 . . . . 1.04 110.976 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.21 168.18 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 1.8200000000000001 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -86.04 136.87 35.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.48 109.251 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.08 -168.06 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 1.48 110.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.37 -52.08 5.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.77000000000000002 109.324 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.12 157.58 37.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 2.9500000000000002 109.335 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.576 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -84.94 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.493 1.121 . . . . 0.42999999999999999 109.293 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.55 147.13 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.391 1.057 . . . . 1.6599999999999999 110.366 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.821 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.0 mt -146.97 144.41 29.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.46000000000000002 109.258 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.417 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 59.1 m-70 -140.23 143.87 36.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.56000000000000005 109.641 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -147.31 130.07 16.09 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 2.1099999999999999 111.025 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.734 ' H ' HG21 ' A' ' 5' ' ' VAL . 51.8 p -69.92 -7.6 41.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.095 . . . . 3.2799999999999998 109.975 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 165.46 79.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 6.5199999999999996 110.288 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 2.8 p-10 -93.15 -42.93 9.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 4.8499999999999996 109.289 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' N ' ' ND2' ' A' ' 28' ' ' ASN . 19.3 tp 38.68 83.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 6.5 109.356 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.865 HG13 ' HB3' ' A' ' 34' ' ' SER . 74.8 t -52.01 -100.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 5.46 109.254 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.612 ' N ' HG12 ' A' ' 30' ' ' VAL . 8.8 t 43.53 35.43 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 5.6100000000000003 110.379 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.671 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -158.32 48.25 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 5.3200000000000003 110.338 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 45.37 59.22 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 5.6900000000000004 111.052 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.865 ' HB3' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -115.31 167.93 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.51 109.983 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 154.67 -163.65 31.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.82999999999999996 111.054 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 83' ' ' TRP . . . -141.44 169.7 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.81000000000000005 109.312 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.38 9.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 4.8899999999999997 109.273 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.776 HD12 ' N ' ' A' ' 39' ' ' VAL . 4.0 tp -93.01 134.2 35.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.60999999999999999 109.291 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.776 ' N ' HD12 ' A' ' 38' ' ' LEU . 27.8 m -131.31 135.24 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.67000000000000004 109.282 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 1.2 tmm? -87.08 94.01 9.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.8100000000000001 111.025 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -117.85 59.32 0.79 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 1.0800000000000001 110.39 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -70.11 -59.92 2.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 2.0699999999999998 109.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -116.43 142.18 29.09 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 5.5 110.993 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.22 5.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.439 1.757 . . . . 3.6200000000000001 110.99 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.3 -68.13 0.69 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.441 1.088 . . . . 3.9300000000000002 110.993 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.59 89.7 3.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 0.72 . . . . 5.4400000000000004 111.001 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 38.39 73.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 6.8799999999999999 110.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 54.9 83.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 5.9199999999999999 109.581 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.72 92.85 45.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 2.2200000000000002 109.985 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 144.04 30.14 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.46 1.769 . . . . 1.49 111.002 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmt -117.46 126.21 52.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 3.29 111.029 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -71.18 143.37 50.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.73999999999999999 109.324 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.4 p -107.29 169.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.429 1.081 . . . . 0.83999999999999997 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.21 96.56 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 4.5800000000000001 109.315 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -136.13 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.67000000000000004 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.33 147.48 45.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.68000000000000005 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.672 HG12 HG13 ' A' ' 68' ' ' ILE . 3.7 m -108.34 124.65 64.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.572 1.17 . . . . 1.8100000000000001 109.224 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.6 m -138.32 132.44 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 1.1699999999999999 110.003 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.92 156.67 49.51 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.81000000000000005 111.0 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 47.62 3.64 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.002 -0.839 . . . . 2.3100000000000001 111.002 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.39 -61.47 0.41 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.041 -0.824 . . . . 2.6699999999999999 111.041 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -97.89 154.6 37.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 3.0299999999999998 109.279 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.09 9.53 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 1.6100000000000001 110.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -25.75 27.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 2.6299999999999999 109.35 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.4 m -114.4 132.39 56.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.75 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.489 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.19 146.36 41.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.574 1.171 . . . . 1.6100000000000001 111.017 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.27 113.13 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 1.6399999999999999 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.672 HG13 HG12 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -90.09 121.96 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.47999999999999998 109.266 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -126.6 107.83 23.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.56000000000000005 110.372 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.04 136.3 20.13 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.548 1.815 . . . . 0.56999999999999995 110.992 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.49 72.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.80000000000000004 109.352 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.89 149.35 36.85 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.84999999999999998 109.952 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.08 13.9 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.78000000000000003 110.938 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.0 mt -75.76 117.27 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.79000000000000004 109.299 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.0 p -96.96 162.81 13.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.88 110.402 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.21 156.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.76000000000000001 109.268 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.08 -149.78 19.84 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.566 1.166 . . . . 0.57999999999999996 110.983 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.591 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 1.3 m -147.57 132.46 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 0.824 . . . . 0.83999999999999997 110.388 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.1 m-85 -137.61 175.3 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 2.02 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.43 115.59 7.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 2.1600000000000001 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 38' ' ' LEU . 47.9 t -84.85 111.52 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.64000000000000001 109.319 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.58 113.58 25.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 1.8400000000000001 109.314 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 36.6 p-90 -110.24 157.48 19.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.54000000000000004 107.996 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.81 ' HG2' HG22 ' A' ' 94' ' ' THR . 2.3 mpt_? -149.47 115.17 5.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 4.3700000000000001 110.26 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 157.3 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.79000000000000004 109.304 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.671 HG11 ' HB3' ' A' ' 32' ' ' GLN . 7.1 p -134.94 108.62 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 2.7000000000000002 109.397 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -97.88 90.0 4.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 3.4399999999999999 110.033 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.1 m 57.65 161.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 3.5099999999999998 110.045 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -69.42 102.5 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 6.9100000000000001 109.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 91' ' ' HIS . 2.7 t -164.84 -46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 5.4400000000000004 110.367 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' N ' ' CG2' ' A' ' 90' ' ' THR . 1.8 p-80 -176.51 130.28 0.36 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 6.75 109.638 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.34 43.0 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.517 1.798 . . . . 1.79 111.013 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 93' ' ' ILE . 1.1 mp -130.8 117.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 2.8100000000000001 109.239 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.81 HG22 ' HG2' ' A' ' 84' ' ' ARG . 20.0 p -112.91 137.92 50.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.01 110.359 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -142.06 160.71 27.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.46999999999999997 111.052 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.88 155.16 49.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 0.767 . . . . 0.70999999999999996 110.018 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.877 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -139.71 104.59 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.51000000000000001 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.0 t -85.01 140.71 30.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.592 1.183 . . . . 0.54000000000000004 110.422 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 2.9 p90 -150.43 149.68 30.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 1.8899999999999999 111.04 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -108.53 160.88 15.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 2.4300000000000002 109.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.715 HG12 ' HA ' ' A' ' 76' ' ' ALA . 75.0 t -140.19 120.25 13.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.60999999999999999 109.286 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 3.0299999999999998 109.345 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.52 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.578 -0.527 . . . . 8.7699999999999996 109.578 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.925 ' HA ' HG23 ' A' ' 93' ' ' ILE . 18.2 Cg_endo -75.08 75.44 3.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 6.4299999999999997 110.968 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.38 127.95 11.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 5.2300000000000004 109.215 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -87.89 169.64 11.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.85999999999999999 109.245 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.822 HG21 ' H ' ' A' ' 26' ' ' SER . 93.2 t -57.68 -85.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.65000000000000002 109.29 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.492 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -136.46 148.33 47.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.5 110.007 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.97 ' HB2' HD23 ' A' ' 23' ' ' LEU . 66.7 p -157.16 165.55 35.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.411 1.069 . . . . 0.31 110.027 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.74 ' O ' HG22 ' A' ' 8' ' ' THR . 1.5 m -138.52 58.45 14.3 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.77000000000000002 110.377 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.728 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 -74.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.439 1.757 . . . . 0.39000000000000001 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.559 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -177.26 45.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.44 109.372 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.4 107.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 2.3799999999999999 110.273 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.06 37.35 2.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.71999999999999997 111.001 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.451 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -71.08 93.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 0.722 . . . . 1.24 109.958 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -106.38 120.09 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 2.25 110.312 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.94 -47.8 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.126 . . . . 1.01 111.01 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.88 166.08 15.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 1.8 109.293 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.709 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -71.72 136.4 83.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 1.3799999999999999 109.352 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 148.14 34.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 1.27 110.962 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.07 -57.03 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.92000000000000004 109.278 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.79 149.37 26.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 3.79 109.345 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.604 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -86.07 139.59 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.40000000000000002 109.344 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -116.76 151.0 37.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 1.8500000000000001 110.303 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.97 HD23 ' HB2' ' A' ' 7' ' ' SER . 11.4 mt -147.87 146.15 28.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.578 1.174 . . . . 0.42999999999999999 109.281 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -136.71 160.27 39.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.82999999999999996 109.618 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 50.0 m-85 -154.42 117.5 4.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 2.0800000000000001 111.021 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.822 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.8 t -70.04 -7.19 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 1.9199999999999999 109.965 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.56 96.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 4.3700000000000001 110.315 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.481 ' C ' HD23 ' A' ' 29' ' ' LEU . 9.9 t30 -128.24 -81.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.579 1.174 . . . . 3.8999999999999999 109.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.8 OUTLIER 39.96 70.21 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 6.8399999999999999 109.339 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 29' ' ' LEU . 2.8 t -155.79 147.77 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 4.6500000000000004 109.344 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.0 t -137.42 34.76 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 3.8999999999999999 110.388 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.77 -84.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.42 1.075 . . . . 4.5599999999999996 110.251 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -123.12 66.42 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 4.4199999999999999 111.039 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -132.51 140.51 48.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 2.6000000000000001 110.048 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.35 -154.45 16.74 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.562 1.164 . . . . 1.1599999999999999 111.011 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.24 157.75 37.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 0.756 . . . . 0.93000000000000005 109.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.41 114.31 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 4.0800000000000001 109.36 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.009 HD13 HG22 ' A' ' 81' ' ' VAL . 28.9 tp -87.28 131.86 34.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 1.02 109.316 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.0 m -134.2 132.96 55.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.56999999999999995 109.33 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.481 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 10.6 ttt -91.36 96.59 10.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 2.0899999999999999 111.07 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 41' ' ' THR . 13.1 t -106.59 60.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.77000000000000002 110.469 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' MET . . . -46.65 171.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 2.02 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -36.05 151.31 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 5.5 111.027 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 140.76 25.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 3.9100000000000001 110.92 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.51 -45.51 0.04 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.508 1.13 . . . . 3.5800000000000001 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.89 59.95 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 0.746 . . . . 7.3300000000000001 111.002 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 0.1 OUTLIER 38.87 54.29 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 6.1100000000000003 110.302 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 52.6 p-80 46.14 88.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 6.9199999999999999 109.626 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.69 75.57 79.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 2.5600000000000001 109.992 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 161.45 38.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 1.6000000000000001 111.039 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -138.92 140.52 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 2.73 111.003 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.66 143.03 35.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.93999999999999995 109.358 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.1 p -113.58 164.52 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.45 1.094 . . . . 1.1000000000000001 109.296 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -85.56 129.7 34.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 3.4199999999999999 109.336 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.76 174.89 13.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.78000000000000003 109.376 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -134.84 146.2 49.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.95999999999999996 109.226 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.663 HG12 HG13 ' A' ' 68' ' ' ILE . 22.7 m -113.26 119.69 61.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 2.0499999999999998 109.27 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.2 m -114.83 175.35 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.3999999999999999 110.01 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.23 146.98 18.0 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.412 1.07 . . . . 1.25 111.025 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.4 61.08 4.47 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 2.4399999999999999 110.998 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.79 -55.18 3.0 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.006 -0.838 . . . . 3.3399999999999999 111.006 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -88.82 148.94 42.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 0.751 . . . . 3.0899999999999999 109.303 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -1.17 10.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.529 1.805 . . . . 2.2999999999999998 110.974 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -84.97 -36.98 20.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 2.1000000000000001 109.241 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -98.47 112.98 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.72999999999999998 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -113.04 150.21 32.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 1.28 111.038 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -142.98 114.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.97 109.344 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.663 HG13 HG12 ' A' ' 57' ' ' VAL . 1.3 mp -89.29 129.63 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.56999999999999995 109.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -139.77 108.52 7.1 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.77000000000000002 110.37 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.96 134.72 18.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.53000000000000003 111.045 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.75 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.70999999999999996 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.33 148.47 34.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.77000000000000002 109.988 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 131.44 14.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.542 1.811 . . . . 0.69999999999999996 111.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 60.4 mt -80.21 116.86 20.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.58999999999999997 109.318 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 68.6 p -93.36 173.16 7.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.60999999999999999 110.399 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -49.97 167.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.543 1.152 . . . . 0.64000000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.24 -150.38 17.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.56999999999999995 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.4 m -139.84 132.51 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 0.731 . . . . 0.68000000000000005 110.394 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 4.9 m-85 -134.0 171.54 14.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 2.0299999999999998 111.022 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -146.5 111.88 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 3.1499999999999999 109.351 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.009 HG22 HD13 ' A' ' 38' ' ' LEU . 44.2 t -85.08 116.39 28.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.52000000000000002 109.326 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -98.4 115.12 27.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 1.9099999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.549 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 51.9 p-90 -110.08 157.85 18.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.959 -1.126 . . . . 0.5 107.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.62 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.2 OUTLIER -143.06 128.88 19.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 2.8999999999999999 110.244 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' C ' HG23 ' A' ' 86' ' ' VAL . . . -121.65 168.38 11.84 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.84999999999999998 109.278 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 92' ' ' PRO . 74.5 t -154.24 128.86 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 2.7200000000000002 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.59 168.1 15.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 3.6899999999999999 109.973 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.0 m -84.48 66.07 9.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 5.9199999999999999 109.971 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -174.31 -71.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 6.0499999999999998 109.285 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.3 t -173.91 -171.61 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.485 1.115 . . . . 4.5300000000000002 110.376 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 66.29 106.73 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.449 1.093 . . . . 4.6299999999999999 109.654 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.545 ' HA ' HG22 ' A' ' 86' ' ' VAL . 18.0 Cg_endo -75.11 157.14 42.49 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.454 1.765 . . . . 1.8999999999999999 110.898 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.925 HG23 ' HA ' ' A' ' 2' ' ' PRO . 2.6 mp -134.01 137.96 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 2.6699999999999999 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.62 HG22 ' HG2' ' A' ' 84' ' ' ARG . 54.7 p -123.1 172.12 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 1.02 110.452 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.549 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -174.55 159.26 28.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.17 . . . . 0.53000000000000003 110.978 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.77 155.01 44.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.76000000000000001 110.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.728 HG11 ' HG2' ' A' ' 9' ' ' PRO . 10.9 t -142.05 107.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.178 . . . . 0.52000000000000002 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.3 t -90.04 137.75 32.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.46999999999999997 110.362 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.3 p90 -149.14 146.46 27.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 1.75 111.039 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -102.22 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 2.6200000000000001 109.369 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.709 HG13 ' N ' ' A' ' 17' ' ' ALA . 62.0 t -138.7 119.99 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.47999999999999998 109.312 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 2.5299999999999998 109.349 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.453 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.602 -0.518 . . . . 9.0099999999999998 109.602 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.65 ' HG2' HG23 ' A' ' 93' ' ' ILE . 18.3 Cg_endo -75.03 -166.85 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.441 1.758 . . . . 5.9100000000000001 111.045 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 124.98 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 5.8200000000000003 109.308 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.681 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -69.91 109.89 4.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 2.25 109.336 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.674 HG21 ' H ' ' A' ' 26' ' ' SER . 82.7 t -48.83 -70.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -156.27 150.12 25.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.60999999999999999 110.008 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.929 ' HB2' HD23 ' A' ' 23' ' ' LEU . 80.7 p -157.52 167.22 30.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.52000000000000002 109.977 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.554 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 m -140.95 56.67 6.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.68999999999999995 110.408 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.833 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.02 -72.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.40000000000000002 111.045 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.57 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.48 43.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.40999999999999998 109.295 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -37.56 101.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.494 1.121 . . . . 2.4500000000000002 110.338 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.03 36.91 0.38 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.80000000000000004 110.993 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.87 100.27 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 1.26 110.043 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -105.57 120.36 41.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 1.8200000000000001 110.323 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 154.04 -44.37 0.58 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.578 1.174 . . . . 0.98999999999999999 110.994 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.98 167.29 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 0.817 . . . . 1.8 109.301 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -79.3 136.4 56.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 1.54 109.286 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -75.02 144.62 30.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 1.54 110.994 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.1 -53.1 17.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.85999999999999999 109.347 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.54 151.49 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 3.3199999999999998 109.336 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -84.59 144.49 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.47999999999999998 109.312 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.4 mt-10 -120.13 150.49 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 1.5600000000000001 110.283 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.929 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -148.22 143.64 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.82999999999999996 109.282 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 71.0 m-70 -135.99 155.1 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.81000000000000005 109.564 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.681 ' CE1' HD23 ' A' ' 4' ' ' LEU . 12.8 m-85 -154.83 105.09 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 2.9399999999999999 111.025 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.674 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -68.75 -8.32 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 1.5700000000000001 110.008 -179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -87.92 -72.05 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 4.6699999999999999 110.322 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 173.17 124.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 5.7000000000000002 109.31 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.531 HD13 ' SD ' ' A' ' 66' ' ' MET . 0.5 OUTLIER -110.21 52.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 8.8200000000000003 109.34 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 32' ' ' GLN . 0.9 OUTLIER -53.32 151.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.446 1.092 . . . . 3.9500000000000002 109.325 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 31' ' ' THR . 9.2 t -96.62 60.85 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 4.29 110.328 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.0 tp-100 -98.48 -57.38 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 5.1900000000000004 110.288 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.903 ' HB2' HG11 ' A' ' 86' ' ' VAL . 47.0 m-85 -138.7 27.2 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 3.6499999999999999 110.96 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 2.6 m -85.44 146.83 26.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.79 109.975 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 179.46 154.98 13.97 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 1.27 111.01 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.66 163.01 27.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.83999999999999997 109.335 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -155.17 120.53 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 2.5600000000000001 109.309 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.721 HD12 ' N ' ' A' ' 39' ' ' VAL . 8.1 tp -90.6 135.19 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.68000000000000005 109.331 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.721 ' N ' HD12 ' A' ' 38' ' ' LEU . 18.1 m -129.51 131.69 66.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.75 109.292 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.548 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.16 96.08 10.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.74 111.036 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -107.08 59.84 0.62 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 1.1499999999999999 110.37 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -53.8 41.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 2.2999999999999998 109.29 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.34 157.71 52.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 3.9900000000000002 111.018 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -166.83 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 3.8900000000000001 111.023 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.12 -53.87 0.16 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.434 1.084 . . . . 3.3700000000000001 111.029 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.3 mmt -127.67 78.88 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 0.764 . . . . 5.5199999999999996 111.041 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 40.29 74.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 7.5499999999999998 110.354 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 57.56 90.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 5.9199999999999999 109.619 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.1 t -125.19 76.14 67.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 2.1400000000000001 110.059 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.68 39.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.452 1.764 . . . . 1.3400000000000001 110.975 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 mmm -110.13 118.87 37.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 2.6600000000000001 111.021 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -69.75 149.57 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -119.61 174.85 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 1.0900000000000001 109.322 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.13 116.84 33.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 4.9900000000000002 109.249 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.26 173.1 13.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.78000000000000003 109.319 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -141.4 148.11 39.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.94999999999999996 109.246 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -101.29 125.54 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 2.1000000000000001 109.263 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -136.61 131.15 33.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.90000000000000002 110.031 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.31 161.32 52.9 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.89000000000000001 111.05 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.08 47.43 1.81 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.976 -0.849 . . . . 2.3599999999999999 110.976 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.45 -41.21 2.88 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 2.1800000000000002 110.98 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -98.87 144.85 28.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 2.9700000000000002 109.276 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.789 . . . . 1.3200000000000001 110.974 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -101.17 -19.94 15.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 2.52 109.318 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -106.65 111.77 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.78000000000000003 110.439 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.531 ' SD ' HD13 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -101.98 151.99 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 1.23 110.98 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 58.6 t -144.89 115.83 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 1.6399999999999999 109.304 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 mp -88.41 124.5 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.60999999999999999 109.241 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -128.92 109.09 18.36 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.75 110.395 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -74.99 135.52 19.21 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.567 1.825 . . . . 0.68999999999999995 110.998 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.22 -29.37 65.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.93000000000000005 109.274 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.51 151.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.90000000000000002 110.045 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 138.81 23.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.475 1.776 . . . . 0.92000000000000004 110.999 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 61.2 mt -89.58 118.19 29.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 0.64000000000000001 109.316 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.7 p -93.62 170.51 9.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.67000000000000004 110.456 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.557 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.87 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.85999999999999999 109.28 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.03 -153.44 17.49 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.148 . . . . 0.73999999999999999 111.018 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 31.6 m -131.17 137.57 49.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.747 . . . . 0.75 110.393 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.605 ' HB3' HD11 ' A' ' 38' ' ' LEU . 6.0 m-85 -141.55 171.04 14.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 2.1600000000000001 110.966 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.48 113.91 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 2.2799999999999998 109.245 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.671 ' CG2' HD13 ' A' ' 38' ' ' LEU . 71.7 t -87.96 104.86 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.69999999999999996 109.288 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 109.37 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 2.3399999999999999 109.28 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 21.6 p-90 -103.83 155.67 18.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.77000000000000002 107.994 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -144.78 103.33 3.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 2.6299999999999999 110.319 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.533 ' O ' HD12 ' A' ' 93' ' ' ILE . . . -88.38 151.21 22.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.4199999999999999 109.329 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.903 HG11 ' HB2' ' A' ' 33' ' ' PHE . 76.7 t -146.16 114.41 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 2.73 109.273 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.56 -69.42 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 3.8700000000000001 110.028 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t -174.23 -51.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 2.8900000000000001 110.04 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.85 161.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 6.54 109.369 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 53.7 m -62.67 164.3 7.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.584 1.177 . . . . 4.4000000000000004 110.464 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 67.87 118.52 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 4.7400000000000002 109.598 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.48 12.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 1.96 111.113 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.65 HG23 ' HG2' ' A' ' 2' ' ' PRO . 2.5 mt -114.64 84.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.145 . . . . 3.9500000000000002 109.359 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.3 p -84.67 143.32 29.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.98999999999999999 110.445 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -165.24 157.59 30.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.71999999999999997 110.933 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.3 OUTLIER -148.62 145.66 27.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.95999999999999996 110.015 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.833 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.8 t -127.85 111.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.54000000000000004 109.278 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.6 t -86.62 141.42 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.62 110.43 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 79' ' ' TYR . 28.8 p90 -151.75 154.11 35.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 1.97 111.057 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -104.17 163.03 12.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 2.98 109.294 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.557 HG12 ' HA ' ' A' ' 76' ' ' ALA . 57.4 t -139.05 120.71 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.485 1.115 . . . . 0.73999999999999999 109.235 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 3.6000000000000001 109.323 179.951 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.546 -0.538 . . . . 10.83 109.546 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.92 3.67 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.525 1.803 . . . . 5.7699999999999996 111.005 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -143.28 161.17 39.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 5.8799999999999999 109.292 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.01 174.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.88 109.296 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG21 ' H ' ' A' ' 26' ' ' SER . 54.0 t -53.88 -76.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.67000000000000004 109.301 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.594 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.8 m -152.07 151.44 31.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.54000000000000004 110.01 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.961 ' HB2' HD23 ' A' ' 23' ' ' LEU . 58.6 p -157.55 164.11 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.35999999999999999 110.003 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.745 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 m -137.3 59.86 23.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.81999999999999995 110.407 -179.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.812 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 -75.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.072 0 O-C-N 124.473 1.775 . . . . 0.55000000000000004 110.936 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -178.41 46.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.40000000000000002 109.379 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -41.14 104.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.9399999999999999 110.338 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.78 37.96 7.43 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.78000000000000003 110.981 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.479 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 t -71.68 95.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.8400000000000001 110.01 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -107.62 128.36 54.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 1.9399999999999999 110.293 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.7 -45.81 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 1.1100000000000001 111.025 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.66 166.53 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 0.742 . . . . 1.8300000000000001 109.253 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.68 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -79.43 136.09 56.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 1.4199999999999999 109.268 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.576 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.5 Cg_endo -74.92 150.08 38.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.732 . . . . 1.25 111.018 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.46 -55.1 37.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.77000000000000002 109.34 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.67 148.67 24.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 4.2199999999999998 109.276 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -84.89 144.66 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.48999999999999999 109.313 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.5 tt0 -117.13 149.0 41.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 1.78 110.29 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.53 144.06 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.42999999999999999 109.301 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.449 ' O ' HD23 ' A' ' 4' ' ' LEU . 65.6 m-70 -136.37 147.46 47.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.54000000000000004 109.596 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.482 ' CB ' ' HB2' ' A' ' 28' ' ' ASN . 44.9 m-85 -155.31 116.23 3.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 2.8300000000000001 111.009 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.622 ' H ' HG21 ' A' ' 5' ' ' VAL . 4.3 m -71.77 -5.6 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 1.55 109.966 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -164.03 65.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 5.1100000000000003 110.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.781 HD21 HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -88.8 -65.46 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 4.7300000000000004 109.309 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 39.82 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 6.3700000000000001 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.781 HG23 HD21 ' A' ' 28' ' ' ASN . 70.7 t -58.26 -98.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 5.2599999999999998 109.247 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 30' ' ' VAL . 11.9 t 40.21 36.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 5.7400000000000002 110.438 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.613 ' HB3' HG11 ' A' ' 86' ' ' VAL . 0.8 OUTLIER -146.21 -82.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 5.1399999999999997 110.319 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.434 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 30.3 m-85 -164.92 29.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 3.98 110.963 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.3 149.14 26.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.28 109.965 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.34 171.33 35.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.88 111.034 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -131.95 164.83 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.80000000000000004 109.306 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.66 128.71 8.11 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 3.0800000000000001 109.313 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.058 HD23 HG11 ' A' ' 53' ' ' VAL . 9.9 tp -93.7 121.85 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.3400000000000001 109.279 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.44 134.26 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 1.04 109.257 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 21.1 ttt -90.32 96.45 10.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.6499999999999999 110.966 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 41' ' ' THR . 6.8 t -113.11 59.85 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 1.29 110.403 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -40.52 160.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 2.5099999999999998 109.295 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ALA . 7.9 mtm -35.9 140.52 0.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 5.7999999999999998 111.016 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 43' ' ' MET . 18.3 Cg_endo -74.97 -177.06 3.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.446 1.761 . . . . 3.6899999999999999 110.968 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.23 -56.36 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 4.2199999999999998 111.009 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.2 mmm -125.33 102.28 7.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 6.6900000000000004 111.016 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 66.34 86.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 9.8399999999999999 110.24 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -79.37 87.75 5.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 5.2800000000000002 109.656 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.33 116.84 11.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 2.9399999999999999 109.985 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 145.3 31.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.437 1.756 . . . . 1.7 111.04 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.91 128.84 52.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 4.4299999999999997 110.971 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.65 140.15 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.1899999999999999 109.307 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.058 HG11 HD23 ' A' ' 38' ' ' LEU . 4.1 p -97.83 174.88 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 1.3500000000000001 109.244 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' H ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -98.44 58.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 4.75 109.284 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -98.24 173.84 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.273 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.91 139.69 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.63 109.397 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.5 p -92.38 130.64 41.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 2.1099999999999999 109.295 -179.927 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.07 136.0 29.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 1.27 110.043 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.87 170.89 55.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 1.49 110.941 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.72 55.79 0.49 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.964 -0.855 . . . . 2.8799999999999999 110.964 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.75 -62.35 0.81 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.96 -0.856 . . . . 2.2599999999999998 110.96 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.69 154.06 50.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 2.4100000000000001 109.332 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' O ' ' HE1' ' A' ' 66' ' ' MET . 18.4 Cg_endo -75.03 -10.66 21.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.493 1.786 . . . . 1.3799999999999999 110.963 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -87.28 -31.82 20.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 2.1899999999999999 109.322 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.9 m -87.95 120.63 29.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.71999999999999997 110.398 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.446 ' HE1' ' O ' ' A' ' 63' ' ' PRO . 1.3 mpp? -110.16 151.75 26.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.3799999999999999 111.028 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.0 t -151.04 121.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 1.9199999999999999 109.322 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.1 mp -91.84 124.47 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.53000000000000003 109.296 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 69' ' ' THR . 0.5 OUTLIER -131.78 109.11 14.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.60999999999999999 110.397 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.485 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.02 134.96 18.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.51000000000000001 111.044 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.84 -34.43 78.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.337 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 153.99 37.44 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 1.01 109.965 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 126.74 10.11 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.80000000000000004 110.983 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.782 HD21 HD21 ' A' ' 38' ' ' LEU . 29.7 mt -71.13 115.74 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.56999999999999995 109.266 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.9 p -90.33 169.2 11.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.67000000000000004 110.417 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.82 167.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.569 1.168 . . . . 0.68999999999999995 109.319 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.51 -151.61 16.88 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.62 110.977 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.513 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -138.25 130.62 28.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 1.22 110.39 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.6 m-85 -135.18 169.65 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 2.02 110.945 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.66 115.34 8.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.437 1.086 . . . . 3.1800000000000002 109.309 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.63 ' CG2' HD13 ' A' ' 38' ' ' LEU . 2.4 t -87.91 116.01 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.87 109.313 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.34 124.81 44.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 2.3100000000000001 109.287 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.583 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 47.8 p-90 -118.97 158.02 26.59 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.52000000000000002 108.014 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.846 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -144.51 122.0 11.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 3.25 110.323 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.796 ' HB3' ' CG2' ' A' ' 93' ' ' ILE . . . -106.99 144.5 33.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.91000000000000003 109.277 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 32' ' ' GLN . 94.6 t -138.81 113.15 7.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 2.3100000000000001 109.282 179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -77.47 -64.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 3.5 110.026 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 t -176.23 -57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 3.0 109.94 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.3 167.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 6.1100000000000003 109.35 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 90' ' ' THR . 19.9 m -82.93 60.14 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 5.2300000000000004 110.358 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -156.88 88.35 2.69 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 5.4000000000000004 109.593 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 150.98 39.63 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.487 1.783 . . . . 1.5900000000000001 111.012 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.796 ' CG2' ' HB3' ' A' ' 85' ' ' ALA . 2.8 tp -114.07 103.71 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 3.6000000000000001 109.219 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.846 HG22 ' CG ' ' A' ' 84' ' ' ARG . 17.5 p -90.4 161.26 15.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.93999999999999995 110.399 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.583 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -166.83 159.94 33.45 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.42999999999999999 111.014 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.05 154.05 45.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.75 110.021 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.812 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.7 t -136.97 107.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.52000000000000002 109.296 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.7 t -89.4 138.58 31.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.5 110.433 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.4 p90 -150.15 150.34 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 1.76 110.937 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -104.67 164.0 12.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 2.7799999999999998 109.281 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 76' ' ' ALA . 87.4 t -141.13 120.82 11.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.54000000000000004 109.361 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 2.4900000000000002 109.297 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.803 ' H2 ' HD13 ' A' ' 93' ' ' ILE . 1.3 t60 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.539 -0.541 . . . . 10.0 109.539 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 -162.16 0.14 Allowed 'Trans proline' 0 C--N 1.358 1.079 0 O-C-N 124.544 1.813 . . . . 4.3899999999999997 111.042 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -111.71 164.35 13.13 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.503 1.127 . . . . 5.0199999999999996 109.353 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -54.6 172.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.01 109.339 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.437 HG21 ' H ' ' A' ' 26' ' ' SER . 74.6 t -56.54 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.91000000000000003 109.261 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.529 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.5 m -139.1 153.63 48.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.88 110.03 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 23' ' ' LEU . 13.9 p -157.98 168.96 25.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.41999999999999998 109.971 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.539 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 12.0 m -140.05 57.1 8.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.68000000000000005 110.409 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.749 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.99 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.41999999999999998 111.007 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.651 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -176.95 44.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.565 1.165 . . . . 0.56999999999999995 109.394 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 101.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 2.27 110.283 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.88 40.37 3.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.80000000000000004 110.962 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.97 95.64 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 1.26 110.033 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -106.01 121.96 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.8799999999999999 110.267 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.31 -45.09 0.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.93999999999999995 110.965 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.91 166.93 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 1.8 109.293 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -75.34 138.19 71.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 1.3799999999999999 109.334 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.0 Cg_endo -75.07 140.05 24.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.443 1.76 . . . . 1.3700000000000001 110.934 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.79 -53.98 33.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.88 109.28 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 148.9 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 4.4199999999999999 109.291 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.626 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.86 142.91 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.46999999999999997 109.287 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -119.3 149.74 41.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 2.2599999999999998 110.252 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' HD13 ' A' ' 68' ' ' ILE . 4.7 mt -145.2 142.58 29.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.59999999999999998 109.298 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.747 ' O ' HD23 ' A' ' 4' ' ' LEU . 59.0 m-70 -136.1 148.31 48.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.77000000000000002 109.626 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 24' ' ' HIS . 5.5 m-85 -155.16 131.9 10.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 3.0499999999999998 111.007 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.437 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -69.67 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 1.72 109.969 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -161.39 53.82 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 4.3799999999999999 110.288 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' LEU . 11.1 t30 -46.6 -83.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 4.96 109.285 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' ASN . 8.7 tp 38.26 87.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 6.1500000000000004 109.25 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.602 HG12 ' N ' ' A' ' 31' ' ' THR . 25.4 t -76.17 -89.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.591 1.182 . . . . 5.2800000000000002 109.308 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.602 ' N ' HG12 ' A' ' 30' ' ' VAL . 3.5 m 39.76 41.34 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 4.5899999999999999 110.364 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.433 ' NE2' ' O ' ' A' ' 31' ' ' THR . 0.1 OUTLIER -143.33 -85.69 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 5.7599999999999998 110.306 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' HB2' HG21 ' A' ' 86' ' ' VAL . 31.9 m-85 -161.14 28.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 4.0300000000000002 110.933 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.515 ' HB3' HG22 ' A' ' 30' ' ' VAL . 43.2 t -84.62 139.28 32.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.5700000000000001 109.993 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.83 -159.01 10.05 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.504 1.127 . . . . 1.1799999999999999 111.049 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.14 152.73 29.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 1.3 109.222 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -154.73 122.19 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 2.6400000000000001 109.32 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.956 HD13 HG22 ' A' ' 81' ' ' VAL . 23.8 tp -91.51 139.83 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.90000000000000002 109.327 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.758 HG22 ' O ' ' A' ' 80' ' ' LYS . 10.5 m -131.9 144.36 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.68999999999999995 109.295 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.542 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -104.59 95.68 6.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 2.3700000000000001 111.008 179.985 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 41' ' ' THR . 13.0 t -109.39 59.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.85999999999999999 110.458 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -81.89 133.34 35.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 2.98 109.348 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 48.36 93.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.18 . . . . 4.9199999999999999 111.021 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.533 1.807 . . . . 3.0600000000000001 110.977 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.44 -48.81 1.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 3.0800000000000001 110.918 -179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 mmt -95.82 78.23 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 0.735 . . . . 5.1200000000000001 110.975 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 7.8 tt0 42.96 51.68 5.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 6.9000000000000004 110.304 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 13.6 p-80 49.4 89.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.388 1.055 . . . . 5.7599999999999998 109.59 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.96 101.37 47.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 2.2200000000000002 110.007 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 154.4 42.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.561 1.822 . . . . 1.3799999999999999 111.023 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -127.85 110.8 12.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 2.2799999999999998 111.025 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.86 140.2 52.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.79000000000000004 109.257 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.0 p -123.66 159.12 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 1.04 109.299 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -78.11 129.87 35.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 3.3599999999999999 109.286 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -155.11 175.26 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.81999999999999995 109.341 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.28 145.75 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.92000000000000004 109.309 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.3 m -114.77 127.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 1.9199999999999999 109.318 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 67' ' ' VAL . 6.5 m -149.39 144.42 26.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 1.22 109.951 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.67 170.92 54.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 1.3999999999999999 110.973 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.09 -109.87 1.75 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.032 -0.827 . . . . 2.5 111.032 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -96.0 -23.1 18.52 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.027 -0.829 . . . . 3.1899999999999999 111.027 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.23 154.71 56.23 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 0.75 . . . . 4.1900000000000004 109.334 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -1.35 11.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 2.5 111.023 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.32 -23.67 15.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 3.1899999999999999 109.331 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -94.49 117.63 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 1.05 110.425 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.47 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -98.75 154.09 18.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 1.29 111.016 -179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 81.9 t -149.13 119.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 1.6799999999999999 109.29 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.595 HD13 ' CD1' ' A' ' 23' ' ' LEU . 1.6 mp -99.47 134.29 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.89000000000000001 109.315 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.69 119.15 9.02 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.82999999999999996 110.38 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.558 ' HG3' HD11 ' A' ' 74' ' ' LEU . 18.5 Cg_endo -74.91 134.16 17.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.54000000000000004 111.036 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.76 -26.08 66.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.75 109.284 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.54 157.15 34.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.76000000000000001 110.064 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 129.19 12.1 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.80000000000000004 110.973 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.627 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 45.5 mt -77.27 116.15 17.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.75 109.226 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.9 p -95.38 170.68 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.68999999999999995 110.428 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.541 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.26 174.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.79000000000000004 109.348 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -149.61 17.87 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.555 1.159 . . . . 0.51000000000000001 111.018 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 31.2 m -140.13 136.5 33.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.70999999999999996 110.458 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 38' ' ' LEU . 7.8 m-85 -135.12 161.81 34.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 1.8600000000000001 111.007 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -130.48 111.62 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.59 1.181 . . . . 4.21 109.292 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.956 HG22 HD13 ' A' ' 38' ' ' LEU . 60.5 t -86.18 99.24 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.72999999999999998 109.311 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -89.91 123.71 34.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 1.96 109.299 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.573 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.9 p-90 -123.11 151.02 42.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.88 108.012 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' SER . 1.2 mtt85 -129.64 132.5 46.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 3.0299999999999998 110.323 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.57 133.47 51.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 1.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 33' ' ' PHE . 54.7 t -118.3 154.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 2.6400000000000001 109.338 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.91 -158.39 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 3.3599999999999999 109.984 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 m -58.91 -84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 3.3300000000000001 110.014 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 90' ' ' THR . 0.1 OUTLIER -138.62 106.0 5.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 5.6299999999999999 109.327 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 89' ' ' ASP . 0.7 OUTLIER 171.12 162.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 5.6500000000000004 110.363 179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.534 ' CD2' ' H3 ' ' A' ' 1' ' ' HIS . 1.7 p-80 -39.62 157.52 0.14 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 5.7800000000000002 109.551 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 150.74 38.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.473 1.775 . . . . 2.5099999999999998 110.997 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.803 HD13 ' H2 ' ' A' ' 1' ' ' HIS . 13.2 mm -107.62 75.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 2.3999999999999999 109.368 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.405 HG22 ' HG2' ' A' ' 84' ' ' ARG . 19.0 p -85.36 160.11 19.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.89000000000000001 110.422 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.573 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -173.66 151.77 14.0 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.544 1.152 . . . . 0.68999999999999995 111.024 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.84 155.19 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.426 0.721 . . . . 1.1399999999999999 109.989 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 9' ' ' PRO . 69.6 t -132.56 103.04 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.541 1.151 . . . . 0.93999999999999995 109.3 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 5.7 t -86.6 141.68 28.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 110.367 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.7 p90 -154.11 148.58 26.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.8 110.974 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -103.67 159.06 15.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 3.1899999999999999 109.375 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 76' ' ' ALA . 95.3 t -134.9 121.99 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.48999999999999999 109.3 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 2.4500000000000002 109.242 -179.982 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.439 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 40.1 m-70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.588 -0.523 . . . . 11.119999999999999 109.588 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 1' ' ' HIS . 18.3 Cg_endo -75.0 -78.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.451 1.764 . . . . 5.9500000000000002 110.974 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -109.84 165.17 11.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 3.9700000000000002 109.324 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -54.33 172.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.158 . . . . 0.96999999999999997 109.316 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG21 ' H ' ' A' ' 26' ' ' SER . 58.6 t -51.53 -76.33 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.83999999999999997 109.248 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.621 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -152.32 152.67 32.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.53000000000000003 109.965 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.958 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.0 p -156.82 167.03 31.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.35999999999999999 109.986 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.527 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 m -137.35 58.17 16.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.92000000000000004 110.413 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.814 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.93 -63.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.54000000000000004 110.973 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.73 44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.188 . . . . 0.72999999999999998 109.299 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -47.12 107.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 2.7000000000000002 110.254 -179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.06 63.7 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.17 . . . . 1.52 110.965 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.45 129.2 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 2.5099999999999998 109.95 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -101.53 138.03 39.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 3.77 110.322 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -160.65 -116.13 0.4 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.425 1.078 . . . . 1.97 110.935 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 174.78 93.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 4.4900000000000002 109.259 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 63.19 86.94 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 3.25 109.312 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.874 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.3 Cg_endo -75.01 175.52 11.13 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.8 . . . . 2.2000000000000002 110.991 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.73 -75.54 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.92000000000000004 109.304 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.66 158.05 37.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 3.3399999999999999 109.28 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.539 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -88.77 142.23 13.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.60999999999999999 109.291 -179.891 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.434 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.8 tt0 -111.37 149.71 30.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 1.6899999999999999 110.296 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.958 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -148.57 144.7 27.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.46000000000000002 109.287 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' O ' HD23 ' A' ' 4' ' ' LEU . 73.0 m-70 -136.07 149.84 48.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.53000000000000003 109.642 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 25.3 m-85 -153.3 119.87 5.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 2.1099999999999999 111.015 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.727 ' H ' HG21 ' A' ' 5' ' ' VAL . 3.6 m -70.2 -12.43 61.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 1.6299999999999999 109.997 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.9 50.2 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 4.2699999999999996 110.351 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 29' ' ' LEU . 9.2 t30 -48.68 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 4.7400000000000002 109.301 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' ASN . 0.2 OUTLIER 39.31 78.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 6.4500000000000002 109.297 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.873 HG13 ' HB3' ' A' ' 34' ' ' SER . 12.6 t -55.75 -93.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 5.2599999999999998 109.265 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.74 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.4 m 43.02 46.44 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 5.0599999999999996 110.409 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER 176.67 61.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 5.6699999999999999 110.334 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 32' ' ' GLN . 43.2 m-85 35.76 65.31 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 5.5800000000000001 110.944 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.873 ' HB3' HG13 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -116.77 136.63 52.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 1.3899999999999999 109.952 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.63 -154.02 17.67 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 1.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.19 168.61 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 1.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.47 132.36 10.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 5.2599999999999998 109.25 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.788 HD12 ' H ' ' A' ' 39' ' ' VAL . 8.5 tp -90.62 143.11 27.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.77000000000000002 109.355 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.788 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.7 m -141.64 137.38 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.81999999999999995 109.355 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.3 ttt -90.14 97.62 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 2.2799999999999998 111.023 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' THR . 6.7 t -117.49 59.1 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 1.29 110.463 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -65.42 -70.86 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 2.3799999999999999 109.269 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtp -125.28 155.25 71.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.181 . . . . 4.0599999999999996 111.018 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 85.98 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 3.6699999999999999 111.015 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.25 -56.73 2.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 4.1600000000000001 111.043 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mmt -95.41 66.6 2.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 6.9699999999999998 111.048 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' C ' ' CG ' ' A' ' 48' ' ' HIS . 1.6 tt0 53.95 56.54 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 6.04 110.273 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' CG ' ' C ' ' A' ' 47' ' ' GLU . 10.8 p-80 44.73 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 7.5 109.564 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 t -148.31 127.48 6.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 3.8100000000000001 109.974 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 139.5 24.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 1.9199999999999999 110.992 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.6 mtt -107.79 110.92 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 4.2199999999999998 111.001 179.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.51 139.9 42.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.85999999999999999 109.26 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 38' ' ' LEU . 1.3 p -103.57 155.83 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.89000000000000001 109.335 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -78.88 57.95 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 5.0199999999999996 109.297 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -94.18 174.67 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 1.1000000000000001 109.3 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -145.05 148.23 33.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 1.1000000000000001 109.317 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.736 HG12 HG13 ' A' ' 68' ' ' ILE . 4.8 m -111.43 126.21 68.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 2.1299999999999999 109.311 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -139.07 132.51 30.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.3600000000000001 109.964 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.0 160.37 53.34 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.543 1.152 . . . . 1.1200000000000001 110.973 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.82 -139.32 8.59 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.958 -0.857 . . . . 1.96 110.958 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.07 -56.46 16.62 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.037 -0.825 . . . . 2.3900000000000001 111.037 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.17 157.05 34.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 2.3199999999999998 109.332 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -5.84 17.25 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.494 1.786 . . . . 1.97 110.954 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -84.71 -25.8 28.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 2.6899999999999999 109.278 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -96.86 127.84 43.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.82999999999999996 110.485 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.492 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.42 149.42 27.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 1.52 111.023 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 48.2 t -142.33 113.06 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 1.73 109.292 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.736 HG13 HG12 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -86.38 120.14 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.73999999999999999 109.316 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -129.0 104.23 18.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.68000000000000005 110.429 179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.04 135.35 18.89 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.453 1.765 . . . . 0.73999999999999999 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.05 82.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0900000000000001 109.306 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.53 145.83 30.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.93000000000000005 109.988 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.04 12.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 1.21 110.959 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.874 HD12 ' HD2' ' A' ' 18' ' ' PRO . 29.9 mt -62.42 115.37 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.1100000000000001 109.332 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 p -86.39 162.54 18.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.81999999999999995 110.441 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.563 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -41.61 139.05 1.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.93000000000000005 109.307 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.29 -154.98 24.35 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.458 1.099 . . . . 0.56000000000000005 110.96 179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.534 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 16.8 m -141.15 146.59 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.422 0.719 . . . . 1.0600000000000001 110.41 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 1.9 m-85 -142.75 171.45 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 1.8500000000000001 111.049 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' HE2' ' CB ' ' A' ' 96' ' ' SER . 0.0 OUTLIER -142.32 112.84 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 2.46 109.272 -179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.698 HG22 HD13 ' A' ' 38' ' ' LEU . 39.3 t -84.96 113.58 23.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.579 1.174 . . . . 0.60999999999999999 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -98.54 125.47 43.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 2.3500000000000001 109.324 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 35.2 p-90 -121.09 149.2 43.1 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.964 -1.124 . . . . 0.69999999999999996 107.964 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -142.13 123.74 15.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 3.1400000000000001 110.272 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -120.5 119.02 31.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 1.1299999999999999 109.315 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 89' ' ' ASP . 52.1 t -100.1 100.0 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 3.52 109.288 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.5 p -72.91 103.85 3.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 3.6400000000000001 109.934 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.4 t 40.33 52.53 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 3.02 109.985 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.448 ' HA ' ' CG1' ' A' ' 86' ' ' VAL . 0.8 OUTLIER 57.45 166.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 7.8200000000000003 109.329 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 97.2 m 61.67 155.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 4.2300000000000004 110.398 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 m80 46.95 74.75 0.75 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 6.1900000000000004 109.631 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.41 6.06 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.55 1.816 . . . . 2.9900000000000002 110.951 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 14.8 mm -96.0 94.35 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 2.7799999999999998 109.268 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 53.9 p -103.32 160.6 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 1.0600000000000001 110.421 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.575 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.08 162.19 35.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 111.001 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.453 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -139.02 156.43 47.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.72999999999999998 110.002 179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.814 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.6 t -136.06 108.66 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.42999999999999999 109.255 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.76 133.85 35.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.54000000000000004 110.355 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.5 p90 -142.05 161.56 37.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 1.77 110.948 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.27 158.47 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 2.71 109.32 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.563 HG12 ' HA ' ' A' ' 76' ' ' ALA . 3.0 t -139.78 119.45 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.77000000000000002 109.313 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 2.7799999999999998 109.292 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.643 -0.503 . . . . 10.77 109.643 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 137.01 21.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 5.21 110.996 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.61 158.88 43.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.078 . . . . 6.0099999999999998 109.28 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -53.87 174.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.93000000000000005 109.265 -179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.845 HG21 ' H ' ' A' ' 26' ' ' SER . 90.9 t -63.86 -86.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.67000000000000004 109.26 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.5 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -132.36 147.56 52.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.64000000000000001 110.043 179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 23' ' ' LEU . 65.6 p -157.39 166.99 31.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.47999999999999998 110.024 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.506 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 80.4 m -136.9 59.04 20.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.68999999999999995 110.413 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.861 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.97 -66.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.39000000000000001 110.964 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB1' ' HB2' ' A' ' 13' ' ' SER . . . 166.89 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.57999999999999996 109.294 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.67 110.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.48 1.112 . . . . 2.23 110.335 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.76 35.85 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.73999999999999999 110.982 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.674 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 4.6 m -70.64 98.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 0.743 . . . . 1.3 110.019 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -105.92 125.94 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 1.6899999999999999 110.283 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.73 -43.97 0.85 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.91000000000000003 110.997 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.92 165.56 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 1.8200000000000001 109.319 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . . . -87.83 137.87 31.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 1.6399999999999999 109.301 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -74.99 172.51 16.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 1.49 111.01 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.1 -50.35 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.05 109.293 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.29 154.36 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 2.96 109.334 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.56 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -86.0 144.73 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.42999999999999999 109.346 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -115.94 150.19 37.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 3.1600000000000001 110.267 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.7 mt -147.01 143.78 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.40999999999999998 109.347 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.557 ' O ' HD23 ' A' ' 4' ' ' LEU . 56.6 m-70 -136.87 160.79 37.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.53 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CG ' HD23 ' A' ' 29' ' ' LEU . 13.6 m-85 -155.0 131.21 10.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 2.4199999999999999 110.996 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.845 ' H ' HG21 ' A' ' 5' ' ' VAL . 33.3 t -69.61 -11.87 61.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 2.1499999999999999 109.918 -179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -131.39 141.13 49.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 3.9399999999999999 110.254 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -40.19 142.97 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 5.9699999999999998 109.295 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.577 HD23 ' CG ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -110.23 99.51 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 7.3799999999999999 109.286 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.33 158.3 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 4.1299999999999999 109.272 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -103.57 61.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 4.5 110.375 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -95.86 -56.64 2.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 5.1900000000000004 110.29 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -139.0 22.15 2.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.43 1.081 . . . . 4.8799999999999999 110.989 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 4.8 t -90.21 168.5 11.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 1.55 109.942 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.37 -179.35 34.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.591 1.182 . . . . 0.88 110.985 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.37 150.83 27.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 0.771 . . . . 0.78000000000000003 109.343 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.98 126.42 7.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.498 1.124 . . . . 2.71 109.329 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.812 HD13 HG22 ' A' ' 81' ' ' VAL . 6.1 tp -94.48 133.57 37.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 1.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.699 ' N ' HD12 ' A' ' 38' ' ' LEU . 3.2 m -134.26 137.53 51.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.83999999999999997 109.289 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -93.85 98.19 10.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 2.3700000000000001 111.006 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -107.78 59.22 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.73999999999999999 110.366 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -41.86 -63.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 2.1000000000000001 109.356 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.6 tpt -144.14 128.84 9.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 5.3799999999999999 111.041 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.84 7.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.587 1.835 . . . . 3.1800000000000002 111.026 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.69 -54.46 0.5 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 3.7400000000000002 111.018 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 mmt -107.19 87.45 2.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 0.799 . . . . 5.6600000000000001 111.023 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 40.35 76.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 7.3899999999999997 110.317 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 p80 40.79 90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 7.1100000000000003 109.596 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -116.82 80.95 11.42 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 2.7799999999999998 109.976 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.11 42.13 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.51 1.795 . . . . 1.54 110.993 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 52' ' ' ALA . 1.7 mtt -116.06 89.39 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 3.46 110.997 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.564 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -40.26 144.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.88 109.256 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -111.41 146.99 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.97999999999999998 109.361 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.88 96.73 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 5.0700000000000003 109.236 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -140.28 175.24 9.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.70999999999999996 109.272 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.18 144.45 27.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.98999999999999999 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -106.33 128.3 60.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 2.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.533 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.0 m -137.73 147.58 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 1.179 . . . . 1.4199999999999999 110.014 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -78.44 151.31 36.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 1.2 111.04 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.51 -132.37 2.03 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.939 -0.864 . . . . 2.1000000000000001 110.939 -179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.41 -52.59 42.18 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 1.9199999999999999 111.01 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.03 165.7 12.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 3.27 109.263 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -15.15 20.97 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 1.3200000000000001 110.98 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 pttm -86.89 -9.77 54.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 2.3199999999999998 109.251 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -110.61 117.0 32.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.71999999999999997 110.373 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.546 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.26 160.87 14.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 1.6599999999999999 110.972 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 58' ' ' SER . 7.1 p -153.86 122.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.604 1.19 . . . . 2.7799999999999998 109.25 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.643 HD11 ' HB3' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -95.66 122.91 47.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.5 109.315 179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.31 107.38 24.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.66000000000000003 110.416 179.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -75.03 135.33 18.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.52000000000000002 110.977 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.85 -33.98 74.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.69999999999999996 109.309 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.63 152.59 37.85 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.83999999999999997 110.044 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 130.95 13.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.77000000000000002 110.979 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 23.4 mt -75.7 116.97 16.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.427 1.079 . . . . 0.70999999999999996 109.315 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.9 p -90.45 175.1 7.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.77000000000000002 110.407 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -58.04 161.62 3.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.80000000000000004 109.339 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.67 -154.46 19.2 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.132 . . . . 0.63 110.97 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.457 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.01 134.23 49.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 1.1000000000000001 110.425 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.662 ' HB3' HD11 ' A' ' 38' ' ' LEU . 4.2 m-85 -138.19 170.41 16.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 2.0800000000000001 110.997 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' CE ' ' CB ' ' A' ' 96' ' ' SER . 0.1 OUTLIER -146.95 114.97 6.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 2.1699999999999999 109.283 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.812 HG22 HD13 ' A' ' 38' ' ' LEU . 35.6 t -86.84 108.97 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.59999999999999998 109.261 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.68 116.61 29.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 2.1000000000000001 109.333 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 39.0 p-90 -114.21 160.34 19.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.028 -1.101 . . . . 0.5 108.028 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 34' ' ' SER . 3.7 mpt_? -145.09 122.85 11.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 3.3399999999999999 110.257 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.522 ' HB2' ' HZ ' ' A' ' 25' ' ' PHE . . . -104.53 172.24 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.95999999999999996 109.331 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.0 146.18 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 3.0600000000000001 109.293 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -141.48 75.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 3.5299999999999998 110.027 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m 55.89 166.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 3.2200000000000002 109.964 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 54.6 171.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 5.0700000000000003 109.289 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.4 m -90.95 78.91 5.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 7.2300000000000004 110.397 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -162.07 72.38 2.32 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 4.4000000000000004 109.584 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 157.63 43.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 2.3300000000000001 111.004 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 93' ' ' ILE . 5.4 mp -104.7 136.24 39.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 2.3399999999999999 109.293 179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -103.2 147.23 27.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.96999999999999997 110.437 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.534 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -157.56 155.33 26.31 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.55000000000000004 110.946 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.436 ' CB ' ' CE ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -144.81 144.21 31.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 0.727 . . . . 0.77000000000000002 109.933 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.861 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -125.55 105.18 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.63 109.359 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.6 t -89.03 136.39 33.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.636 1.21 . . . . 0.52000000000000002 110.435 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.9 p90 -149.45 154.69 39.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.167 . . . . 1.75 110.954 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -103.51 164.67 11.51 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 2.3300000000000001 109.24 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 76' ' ' ALA . 44.6 t -141.96 114.15 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.62 109.302 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 2.8599999999999999 109.341 179.983 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.562 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 22.7 p-80 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.593 -0.521 . . . . 9.1799999999999997 109.593 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HG2' ' CG1' ' A' ' 93' ' ' ILE . 18.2 Cg_endo -75.0 -164.0 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 5.6900000000000004 111.024 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.03 128.75 17.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 4.0999999999999996 109.286 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.987 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.6 145.54 18.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 1.1699999999999999 109.297 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.643 HG21 ' H ' ' A' ' 26' ' ' SER . 57.4 t -54.04 -81.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 1.4399999999999999 109.327 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.648 ' C ' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -137.22 151.19 48.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.89000000000000001 110.04 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.981 ' HB2' HD23 ' A' ' 23' ' ' LEU . 76.2 p -156.65 168.36 27.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.64000000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.552 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.8 m -138.04 56.82 11.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.93999999999999995 110.36 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.831 ' CG ' HG21 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.97 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.592 1.838 . . . . 0.60999999999999999 110.983 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -175.78 43.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.71999999999999997 109.243 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -37.7 99.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 2.52 110.345 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 10' ' ' ALA . . . 38.95 34.64 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.54 1.15 . . . . 0.84999999999999998 110.998 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 m -67.38 97.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 1.3500000000000001 110.011 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 9.7 mt-10 -105.49 126.79 52.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 1.9399999999999999 110.383 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.93 -39.4 1.45 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.513 1.133 . . . . 0.88 111.016 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.93 1.92 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.572 0.807 . . . . 1.9099999999999999 109.27 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -73.02 140.04 80.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 1.8600000000000001 109.37 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.05 141.11 26.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.586 1.835 . . . . 1.8100000000000001 110.968 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.2 -51.71 4.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.605 1.191 . . . . 0.89000000000000001 109.305 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -155.23 154.66 32.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 2.3999999999999999 109.324 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.64 HD11 HG21 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -85.04 147.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.76000000000000001 109.31 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -124.9 153.9 41.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 1.8500000000000001 110.315 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.5 mt -149.33 146.63 27.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.93000000000000005 109.24 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.464 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 51.0 m-70 -137.13 159.62 41.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 1.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.606 ' HE2' HD13 ' A' ' 93' ' ' ILE . 11.3 m-85 -155.2 110.96 3.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 3.1299999999999999 111.024 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.643 ' H ' HG21 ' A' ' 5' ' ' VAL . 72.7 m -69.72 -7.91 43.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 2.5899999999999999 109.978 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -96.83 -70.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 3.7200000000000002 110.275 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 29' ' ' LEU . 4.9 t-20 169.51 153.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 4.4199999999999999 109.304 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 88' ' ' SER . 0.2 OUTLIER -142.24 103.57 4.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 7.4800000000000004 109.255 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG13 ' N ' ' A' ' 31' ' ' THR . 1.2 t -101.96 161.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 3.9500000000000002 109.31 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' THR . 8.9 t -103.88 57.01 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 4.5499999999999998 110.374 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.506 ' O ' ' CG ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -87.65 -42.25 12.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.403 1.064 . . . . 5.5099999999999998 110.32 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 28.1 m-85 -166.32 31.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 4.1900000000000004 111.0 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.5 p -103.07 169.89 8.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 1.95 110.056 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.1 171.99 28.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.11 . . . . 1.3600000000000001 110.935 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.32 174.34 9.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 0.765 . . . . 0.91000000000000003 109.325 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -154.69 125.4 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 3.0499999999999998 109.291 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.101 HD13 HG22 ' A' ' 81' ' ' VAL . 26.6 tp -93.47 141.44 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 1.1499999999999999 109.292 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 ' H ' HD12 ' A' ' 38' ' ' LEU . 3.4 m -141.61 144.04 26.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.68999999999999995 109.243 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.51 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -104.32 97.97 7.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.8100000000000001 111.007 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.0 t -108.51 59.64 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.93999999999999995 110.466 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' HB2' ' H ' ' A' ' 78' ' ' THR . . . -79.0 132.58 36.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 2.9900000000000002 109.28 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.4 85.51 0.17 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 5.04 111.003 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.77 6.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 3.1400000000000001 110.985 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.62 -42.81 0.37 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.132 . . . . 3.1899999999999999 110.949 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mmt -86.72 65.71 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 4.6900000000000004 110.959 -179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 45.37 49.64 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 7.1699999999999999 110.242 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.9 m80 65.4 90.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 6.6799999999999997 109.59 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.0 p -115.03 90.4 23.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 3.8999999999999999 109.967 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.5 28.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.508 1.794 . . . . 1.28 111.016 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -109.06 96.27 6.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 3.3300000000000001 111.033 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.32 139.02 6.75 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 1.1599999999999999 109.266 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.456 HG22 ' H ' ' A' ' 54' ' ' LYS . 1.4 p -119.53 173.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 1.22 109.307 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' H ' HG22 ' A' ' 53' ' ' VAL . 3.1 tttp -98.29 126.54 43.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 5.8200000000000003 109.259 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -153.95 174.21 14.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.80000000000000004 109.225 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.47 150.69 46.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.78000000000000003 109.244 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.637 HG12 HG13 ' A' ' 68' ' ' ILE . 3.8 m -111.1 132.7 58.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 2.04 109.278 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 m -148.22 136.57 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0900000000000001 110.057 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.09 166.5 53.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.141 . . . . 0.94999999999999996 111.002 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.05 -121.13 3.56 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.98 -0.848 . . . . 1.6599999999999999 110.98 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.04 30.67 6.87 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.958 -0.857 . . . . 3.71 110.958 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.89 153.2 0.64 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 3.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -13.57 21.43 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 1.3799999999999999 111.031 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -86.05 -19.77 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 3.5899999999999999 109.277 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 m -104.49 117.14 33.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 1.1100000000000001 110.349 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.524 ' CE ' HD12 ' A' ' 29' ' ' LEU . 3.3 tpp -101.81 155.93 17.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 1.1799999999999999 111.019 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 13.7 t -148.57 110.57 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.73 109.317 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.637 HG13 HG12 ' A' ' 57' ' ' VAL . 1.2 mp -87.07 127.58 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.81000000000000005 109.315 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -130.81 109.45 15.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.79000000000000004 110.343 -179.886 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.02 136.3 20.17 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.524 1.802 . . . . 0.76000000000000001 111.006 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.63 76.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.92000000000000004 109.321 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.88 152.11 40.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 1.05 109.958 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.47 26.6 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.93999999999999995 110.984 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD21 HD21 ' A' ' 38' ' ' LEU . 30.6 mt -91.23 116.74 29.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.70999999999999996 109.275 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 69.4 p -95.91 175.04 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.84999999999999998 110.379 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -48.32 174.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.84999999999999998 109.319 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.1 -145.12 17.52 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.56000000000000005 110.974 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.599 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 86.8 m -145.23 145.55 31.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.81999999999999995 110.421 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 78' ' ' THR . 3.0 m-85 -146.09 170.24 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.77 111.037 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -143.15 109.82 5.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 2.1299999999999999 109.313 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.101 HG22 HD13 ' A' ' 38' ' ' LEU . 22.0 t -86.88 112.29 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.72999999999999998 109.3 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -95.29 121.34 36.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 1.9399999999999999 109.305 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.526 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 28.6 p-90 -110.23 150.74 28.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.84999999999999998 107.971 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 mtm105 -144.98 127.88 16.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 3.6800000000000002 110.315 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.578 ' HB3' HD12 ' A' ' 93' ' ' ILE . . . -115.54 78.67 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.3300000000000001 109.324 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.791 HG22 ' HB3' ' A' ' 92' ' ' PRO . 77.7 t -92.6 137.87 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 4.3200000000000003 109.237 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t 61.31 14.45 5.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 8.0199999999999996 109.993 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.586 ' HB2' HD22 ' A' ' 29' ' ' LEU . 42.4 p -69.32 -42.61 75.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 8.2799999999999994 109.996 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -176.97 68.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 10.4 109.241 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.3 m 63.3 126.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 6.96 110.398 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 63.81 123.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 5.1799999999999997 109.58 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.791 ' HB3' HG22 ' A' ' 86' ' ' VAL . 17.9 Cg_endo -75.09 143.27 28.57 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.446 1.761 . . . . 2.1400000000000001 110.932 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.606 HD13 ' HE2' ' A' ' 25' ' ' PHE . 1.2 mp -110.88 102.32 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 3.5699999999999998 109.257 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.3 p -103.01 136.81 42.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.96999999999999997 110.423 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.526 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -169.74 170.06 42.5 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.70999999999999996 111.02 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -148.98 150.52 33.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 0.815 . . . . 1.1399999999999999 110.025 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.831 HG21 ' CG ' ' A' ' 9' ' ' PRO . 4.5 t -124.33 115.01 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.188 . . . . 0.64000000000000001 109.286 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.0 t -87.97 142.33 27.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.379 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 79' ' ' TYR . 37.2 p90 -151.27 149.5 29.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 1.8100000000000001 111.0 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.475 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 4.9 mtpm? -104.24 159.93 15.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 3.5800000000000001 109.311 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' H ' ' A' ' 17' ' ' ALA . 34.9 t -134.28 124.48 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.69999999999999996 109.31 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 3.02 109.294 -179.982 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.438 ' ND1' ' CD ' ' A' ' 2' ' ' PRO . 1.6 m-70 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.609 -0.515 . . . . 9.2100000000000009 109.609 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.438 ' CD ' ' ND1' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 84.84 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.495 1.787 . . . . 6.3499999999999996 111.041 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -150.55 165.25 33.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 6.0499999999999998 109.278 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD23 ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -54.47 112.68 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 1.3400000000000001 109.349 179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.67 ' N ' HD22 ' A' ' 4' ' ' LEU . 14.4 t -50.27 -75.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.78000000000000003 109.297 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -146.98 147.97 31.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.59999999999999998 110.042 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.927 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.8 p -156.44 166.02 34.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.34000000000000002 109.999 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.54 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 97.0 m -137.1 57.56 15.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.58999999999999997 110.405 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.808 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.02 -63.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.767 . . . . 0.62 110.979 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.96 43.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.072 . . . . 0.75 109.269 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.731 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -46.4 109.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 2.2999999999999998 110.296 179.89 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 34.15 65.15 0.35 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.453 1.096 . . . . 1.54 110.977 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.81 132.38 42.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.774 . . . . 2.8300000000000001 109.986 179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -99.42 140.84 33.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 3.3399999999999999 110.3 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.29 -123.92 0.92 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 2.21 111.013 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 176.63 90.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 4.75 109.316 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.681 ' H ' HG13 ' A' ' 101' ' ' VAL . . . 62.24 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 3.6099999999999999 109.246 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.572 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.97 -172.97 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 2.5299999999999998 110.956 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -70.07 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.82999999999999996 109.333 179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 170.21 22.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 3.21 109.331 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.556 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -103.27 142.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.78000000000000003 109.278 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -108.11 145.75 33.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 1.8600000000000001 110.306 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.927 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.2 mt -148.06 144.76 28.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.77000000000000002 109.376 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' LYS . 58.3 m-70 -141.79 136.43 30.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 1.02 109.605 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.721 ' CE1' HD23 ' A' ' 4' ' ' LEU . 92.2 m-85 -143.09 77.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 2.48 110.998 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -81.23 5.84 15.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 3.4500000000000002 110.004 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB2' ' CG2' ' A' ' 5' ' ' VAL . 6.2 tp10 -86.98 -58.0 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 5.5599999999999996 110.341 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.509 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 1.9 p-10 -91.41 -42.39 10.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 4.9699999999999998 109.305 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER 36.78 79.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 7.3899999999999997 109.293 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 31' ' ' THR . 1.4 t -158.75 -42.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.477 1.111 . . . . 4.5300000000000002 109.268 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 30' ' ' VAL . 6.5 t 48.42 51.68 14.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 5.79 110.381 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 32' ' ' GLN . 1.3 mm-40 -82.2 -63.81 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 5.6500000000000004 110.262 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -114.47 19.65 16.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 4.4100000000000001 111.03 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 p -84.68 171.41 12.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 1.6899999999999999 109.992 -179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.98 -166.92 39.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 1.01 110.993 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.506 ' HB3' HG21 ' A' ' 57' ' ' VAL . . . -155.23 165.47 36.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.69999999999999996 109.261 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -151.7 116.83 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 2.2799999999999998 109.349 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.028 HD13 HG22 ' A' ' 81' ' ' VAL . 17.7 tp -86.96 135.54 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.60999999999999999 109.302 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.508 ' H ' HD12 ' A' ' 38' ' ' LEU . 4.7 m -133.06 134.88 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.56 1.162 . . . . 0.63 109.278 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.579 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.9 97.02 10.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 1.95 110.965 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 41' ' ' THR . 14.9 t -111.83 59.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.91000000000000003 110.368 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.01 -71.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 2.0299999999999998 109.358 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.11 126.51 26.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 5.0499999999999998 111.021 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 94.8 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.509 1.794 . . . . 2.9100000000000001 111.015 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.11 -59.06 2.0 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 3.0899999999999999 111.007 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 mmt -102.62 81.99 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 5.3799999999999999 111.0 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 41.78 72.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 6.5499999999999998 110.316 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 41.31 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 6.0099999999999998 109.633 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.5 t -117.11 91.61 37.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 2.4700000000000002 110.047 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.92 8.97 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.558 1.82 . . . . 1.52 111.048 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.3 mmt -95.43 96.49 9.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 2.8999999999999999 111.02 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.74 147.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.81000000000000005 109.335 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.7 p -113.63 156.55 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.81000000000000005 109.29 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.57 61.0 2.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 3.0299999999999998 109.34 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -90.4 174.34 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.92000000000000004 109.304 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -143.83 142.7 30.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.91000000000000003 109.265 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG22 HG13 ' A' ' 68' ' ' ILE . 41.2 t -108.37 121.38 61.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 3.02 109.289 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -114.33 174.26 6.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 1.3500000000000001 110.071 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -138.88 149.77 20.82 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.515 1.134 . . . . 1.1799999999999999 111.004 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.56 -138.87 0.71 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.855 . . . . 2.7599999999999998 110.964 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.0 31.65 7.71 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.956 -0.858 . . . . 2.5699999999999998 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.59 151.74 9.95 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.444 0.732 . . . . 3.0299999999999998 109.307 179.93 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HB2' ' N ' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.97 -0.03 9.47 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 2.1200000000000001 111.023 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' HIS . 8.7 ptpt -105.47 -1.15 25.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 2.48 109.307 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -115.61 121.47 42.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.27 110.422 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -131.47 147.21 52.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 1.3999999999999999 110.958 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.52 126.52 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 1.8899999999999999 109.278 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.746 HG13 HG22 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -94.55 121.33 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.76000000000000001 109.255 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.84 103.37 15.85 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.57999999999999996 110.364 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.475 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.12 134.77 18.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.601 1.843 . . . . 0.64000000000000001 110.904 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.89 81.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.79000000000000004 109.321 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.17 145.93 30.98 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 1.03 109.944 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 126.43 9.93 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.72999999999999998 110.964 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.572 HD12 ' HD2' ' A' ' 18' ' ' PRO . 30.7 mt -62.95 115.66 4.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.83999999999999997 109.358 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 70.7 p -88.05 165.72 14.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.81999999999999995 110.384 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.533 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -48.84 151.49 1.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.81999999999999995 109.307 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.6 -152.49 17.94 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.60999999999999999 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.555 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 48.9 m -130.94 148.39 52.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 1.1000000000000001 110.44 179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 11.4 m-85 -143.15 162.58 35.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.608 1.192 . . . . 1.75 110.956 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 98' ' ' THR . 0.2 OUTLIER -130.88 120.79 24.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 4.4000000000000004 109.321 179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.028 HG22 HD13 ' A' ' 38' ' ' LEU . 77.7 t -96.64 103.56 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.58999999999999997 109.311 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.67 104.72 17.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 1.75 109.243 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 4' ' ' LEU . 23.6 p-90 -102.08 160.4 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.64000000000000001 108.023 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.845 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER -146.98 136.55 22.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 4.7400000000000002 110.296 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.857 ' HB3' ' CG1' ' A' ' 93' ' ' ILE . . . -105.47 153.24 21.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.559 1.162 . . . . 1.0600000000000001 109.294 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.443 HG11 ' H ' ' A' ' 32' ' ' GLN . 11.6 p -88.09 146.81 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 4.3499999999999996 109.293 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.98 122.47 10.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 3.9199999999999999 109.994 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.11 -54.39 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 3.3900000000000001 109.999 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.93 137.38 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 6.2599999999999998 109.325 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.9 m -41.42 139.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 6.1399999999999997 110.404 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 68.0 111.19 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 8.6600000000000001 109.602 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.521 1.801 . . . . 3.1899999999999999 110.968 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.857 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 20.7 pt -110.73 148.2 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 3.21 109.332 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.845 HG22 ' HG2' ' A' ' 84' ' ' ARG . 76.9 p -119.02 165.02 14.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.93999999999999995 110.412 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.54 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -161.9 165.18 35.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.55000000000000004 110.965 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.21 142.35 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.90000000000000002 109.991 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.808 HG11 ' HG2' ' A' ' 9' ' ' PRO . 97.5 t -134.33 103.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.67000000000000004 109.309 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.44 ' CB ' ' HG3' ' A' ' 80' ' ' LYS . 7.5 t -84.69 140.18 31.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.45000000000000001 110.401 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.4 p90 -149.76 160.44 43.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 1.8200000000000001 110.928 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.12 165.48 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 2.27 109.358 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.681 HG13 ' H ' ' A' ' 17' ' ' ALA . 4.4 t -148.68 118.45 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.75 109.284 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 16' ' ' ALA . 10.4 mttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 4.6100000000000003 109.294 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.541 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.583 -0.525 . . . . 10.970000000000001 109.583 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 1' ' ' HIS . 18.4 Cg_endo -74.92 144.96 31.19 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 7.0999999999999996 111.036 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.93 124.74 9.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 7.04 109.284 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -87.41 173.48 9.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 1.26 109.345 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.519 ' N ' HD22 ' A' ' 4' ' ' LEU . 60.5 t -50.77 -79.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.97999999999999998 109.283 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.604 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -152.21 145.72 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.91000000000000003 109.956 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.925 ' HB2' HD23 ' A' ' 23' ' ' LEU . 77.2 p -156.38 165.88 35.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.42999999999999999 110.019 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.51 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 55.0 m -141.09 58.99 9.92 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.57999999999999996 110.394 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.03 -71.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.516 1.798 . . . . 0.46000000000000002 111.011 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' H ' HG11 ' A' ' 97' ' ' VAL . . . -178.08 43.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.45000000000000001 109.362 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.509 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -38.27 107.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 2.77 110.318 179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.52 37.95 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.46 1.1 . . . . 0.70999999999999996 111.033 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.501 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -70.17 95.27 0.97 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 0.757 . . . . 1.25 110.013 -179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.464 ' HG2' ' CG ' ' A' ' 100' ' ' LYS . 13.2 mt-10 -104.82 127.74 52.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 2.0099999999999998 110.367 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.99 -48.33 0.72 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.088 . . . . 0.97999999999999998 111.058 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.44 168.64 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 0.73 . . . . 1.8200000000000001 109.289 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 74' ' ' LEU . . . -80.21 137.41 52.8 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.46 109.329 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 170.02 21.34 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.524 1.802 . . . . 1.1200000000000001 111.013 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.42 -55.05 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.76000000000000001 109.249 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 152.71 30.52 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.497 1.123 . . . . 3.2599999999999998 109.324 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -87.73 139.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.42999999999999999 109.293 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.0 tt0 -116.7 149.56 39.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 1.72 110.354 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.925 HD23 ' HB2' ' A' ' 7' ' ' SER . 10.5 mt -148.03 147.72 29.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.56000000000000005 109.26 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.443 ' O ' HD23 ' A' ' 4' ' ' LEU . 64.6 m-70 -145.14 147.24 32.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.05 109.521 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.803 ' CG ' HD23 ' A' ' 29' ' ' LEU . 11.2 m-85 -151.91 99.97 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 2.73 111.05 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.49 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -69.85 -7.3 38.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 1.8999999999999999 109.982 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' ASN . 2.3 tt0 -95.75 33.52 1.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 5.1100000000000003 110.304 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 27' ' ' GLU . 2.3 t-20 61.55 138.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 4.9000000000000004 109.238 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.803 HD23 ' CG ' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -124.05 92.33 3.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 7.3600000000000003 109.306 179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 31' ' ' THR . 2.1 t -84.63 158.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 4.0599999999999996 109.293 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' THR . 8.8 t -103.19 58.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 4.3600000000000003 110.383 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -106.1 -43.11 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 4.9800000000000004 110.286 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -147.15 17.67 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 4.6100000000000003 110.944 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -97.48 159.38 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 1.76 109.979 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.98 -168.47 39.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 1.05 110.999 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.56 153.14 29.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.87 109.268 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -155.0 122.95 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.403 1.065 . . . . 3.3399999999999999 109.396 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.047 HD13 HG22 ' A' ' 81' ' ' VAL . 14.7 tp -94.86 131.08 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.66000000000000003 109.243 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' A' ' 52' ' ' ALA . 31.3 m -132.49 133.31 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.83999999999999997 109.309 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 2.4 ttt -88.57 95.93 10.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 2.1099999999999999 110.977 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 41' ' ' THR . 4.7 t -108.69 59.58 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.94999999999999996 110.444 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 43' ' ' MET . . . -52.53 178.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 2.3199999999999998 109.269 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -37.38 152.81 0.12 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 6.29 111.004 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 137.09 20.98 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.469 1.773 . . . . 3.4300000000000002 110.963 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.94 -49.95 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.547 1.154 . . . . 3.25 110.978 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 mmm -105.68 71.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 0.72 . . . . 5.3200000000000003 111.032 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER 40.88 53.0 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 5.7999999999999998 110.271 -179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 11.1 p80 47.32 86.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 6.9100000000000001 109.556 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -119.48 85.93 32.98 Favored Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.503 1.127 . . . . 2.4300000000000002 110.003 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 165.98 30.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 1.4399999999999999 111.003 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.5 mtt -145.36 151.29 38.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 2.27 110.976 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -88.59 145.59 25.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.83999999999999997 109.288 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.52 130.3 66.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.1699999999999999 109.268 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -58.13 103.92 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 3.71 109.337 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -134.05 174.14 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.65000000000000002 109.365 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.57 149.14 52.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.84999999999999998 109.302 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG12 HG13 ' A' ' 68' ' ' ILE . 9.3 m -114.66 123.94 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 2.3100000000000001 109.332 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 m -132.78 176.31 8.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 1.1799999999999999 110.007 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.43 153.91 16.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.85999999999999999 110.976 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.38 76.37 1.46 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.085 -0.806 . . . . 2.4500000000000002 111.085 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 43.43 39.12 4.2 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.031 -0.828 . . . . 2.2999999999999998 111.031 -179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.18 142.33 0.6 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.434 0.726 . . . . 2.3100000000000001 109.295 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -16.45 20.38 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.36 1.716 . . . . 1.23 110.98 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -15.09 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 2.2400000000000002 109.295 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.435 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 2.1 m -110.52 122.41 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.78000000000000003 110.426 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -114.47 158.82 21.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 1.4199999999999999 110.934 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 1.8 p -156.27 126.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 2.4300000000000002 109.284 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.432 HG13 HG12 ' A' ' 57' ' ' VAL . 1.4 mp -99.8 130.82 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.59999999999999998 109.301 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.61 115.95 14.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.54000000000000004 110.39 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -75.0 135.64 19.34 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.547 1.814 . . . . 0.60999999999999999 111.02 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.02 -27.11 61.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.69999999999999996 109.284 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.18 158.98 31.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.82999999999999996 110.039 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.78000000000000003 111.026 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 73.6 mt -72.75 118.79 16.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.65000000000000002 109.308 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.8 p -92.36 175.45 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.84999999999999998 110.414 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.689 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.77 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.1000000000000001 109.232 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 99.03 -146.38 18.09 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.485 1.116 . . . . 0.60999999999999999 110.995 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.504 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 62.6 m -144.72 145.18 31.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 0.731 . . . . 0.93000000000000005 110.388 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 2.6 m-85 -140.7 164.73 29.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 1.9099999999999999 111.012 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 110.35 10.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 2.8300000000000001 109.227 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.047 HG22 HD13 ' A' ' 38' ' ' LEU . 42.4 t -85.71 103.05 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.58999999999999997 109.32 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.12 111.84 22.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 2.1499999999999999 109.25 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.559 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 26.7 p-90 -110.13 159.18 17.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.026 -1.101 . . . . 0.58999999999999997 108.026 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.552 ' HD3' HG22 ' A' ' 94' ' ' THR . 7.2 mtt-85 -138.89 117.2 11.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 3.0800000000000001 110.292 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB2' ' CE2' ' A' ' 25' ' ' PHE . . . -103.63 143.6 32.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 1.4399999999999999 109.27 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.438 HG22 ' HB3' ' A' ' 92' ' ' PRO . 48.4 t -137.37 157.78 34.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 2.9199999999999999 109.291 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' ASP . 9.6 t -141.77 52.23 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 4.0199999999999996 109.997 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER 69.77 -60.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 3.5699999999999998 110.031 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' SER . 0.4 OUTLIER -39.71 143.55 0.23 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.582 1.176 . . . . 6.4400000000000004 109.286 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 90' ' ' THR . 10.9 t -75.65 57.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 4.8300000000000001 110.481 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -156.03 83.86 3.4 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 4.6200000000000001 109.601 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.6 Cg_endo -74.95 130.72 13.59 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.418 1.746 . . . . 2.0299999999999998 111.02 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.6 111.47 27.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 3.21 109.28 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.552 HG22 ' HD3' ' A' ' 84' ' ' ARG . 20.1 p -86.74 141.03 29.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 1.05 110.404 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.559 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -140.12 164.68 26.14 Favored Glycine 0 CA--C 1.528 0.859 0 O-C-N 124.457 1.098 . . . . 0.59999999999999998 111.055 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.39 142.17 25.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.376 0.692 . . . . 0.87 109.974 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.767 HG11 ' HG2' ' A' ' 9' ' ' PRO . 55.0 t -129.29 101.04 5.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.63 109.323 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.9 t -85.09 145.71 27.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.68000000000000005 110.349 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.5 p90 -153.27 153.8 33.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 1.8200000000000001 111.024 179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 14' ' ' GLU . 45.3 mtpt -106.16 157.03 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 2.3500000000000001 109.296 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' ' 76' ' ' ALA . 94.8 t -137.65 118.77 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.57999999999999996 109.299 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 2.73 109.337 179.922 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.461 ' N ' HD12 ' A' ' 93' ' ' ILE . 1.7 m170 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.577 -0.527 . . . . 9.8399999999999999 109.577 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -51.15 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 5.2199999999999998 110.968 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -144.58 141.71 29.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 5.7199999999999998 109.327 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -54.62 174.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.453 1.096 . . . . 1.05 109.339 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.722 HG21 ' H ' ' A' ' 26' ' ' SER . 98.8 t -60.85 -81.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 1.03 109.274 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.542 ' N ' HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -136.28 147.65 47.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.57999999999999996 109.987 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.836 ' HB2' HD23 ' A' ' 23' ' ' LEU . 78.3 p -156.48 168.23 28.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.40999999999999998 110.037 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.546 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 31.4 m -139.84 57.05 8.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.73999999999999999 110.424 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.872 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.91 -56.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.53 1.805 . . . . 0.90000000000000002 111.018 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 165.21 43.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.54000000000000004 109.279 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.29 103.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 2.6600000000000001 110.311 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.9 34.74 1.4 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.511 1.132 . . . . 0.89000000000000001 110.945 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.495 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.32 97.89 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 1.4299999999999999 109.992 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -109.88 120.7 43.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 1.9199999999999999 110.344 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.37 -39.98 0.95 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 1.1899999999999999 110.998 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.45 148.95 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 2.04 109.3 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.657 ' H ' HG13 ' A' ' 101' ' ' VAL . . . -72.57 136.41 80.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 1.9199999999999999 109.298 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 159.73 40.84 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 1.5900000000000001 110.931 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 1.47 109.318 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.91 161.69 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 3.3900000000000001 109.285 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -85.37 139.2 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 1.0700000000000001 109.307 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 7' ' ' SER . 2.0 tt0 -115.99 151.6 35.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.71 110.285 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.4 mt -147.75 143.87 27.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 1.02 109.305 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.583 ' O ' HD23 ' A' ' 4' ' ' LEU . 36.6 m-70 -137.85 158.3 44.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.78000000000000003 109.66 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 4' ' ' LEU . 56.6 m-85 -155.01 116.98 4.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 2.3900000000000001 110.986 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.722 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.3 OUTLIER -69.71 -6.63 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 1.99 109.961 -179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -139.99 72.95 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 5.21 110.3 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.482 ' ND2' ' N ' ' A' ' 29' ' ' LEU . 1.2 t30 -149.92 159.18 44.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 4.7800000000000002 109.288 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' N ' ' ND2' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -174.89 55.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 8.0199999999999996 109.33 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.684 ' O ' HG22 ' A' ' 31' ' ' THR . 98.2 t -143.1 -71.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 5.3099999999999996 109.332 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 30' ' ' VAL . 0.6 OUTLIER 82.66 15.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 7.6399999999999997 110.331 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.631 ' H ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -148.67 -158.88 0.96 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.477 1.111 . . . . 10.82 110.363 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 53.21 19.14 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 7.7999999999999998 111.057 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.433 ' CB ' ' HA ' ' A' ' 85' ' ' ALA . 17.1 p -152.91 175.3 13.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.71 110.005 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -174.98 162.61 32.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 1.71 110.968 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.76 175.14 6.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 0.748 . . . . 1.02 109.269 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -155.18 128.4 8.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 2.27 109.295 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.58 HD13 HG22 ' A' ' 81' ' ' VAL . 6.7 tp -100.63 132.28 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.88 109.243 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.548 ' N ' HD12 ' A' ' 38' ' ' LEU . 4.3 m -125.55 127.3 71.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 1.05 109.286 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.578 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 20.7 ttt -86.84 96.86 10.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 2.2000000000000002 111.021 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.697 HG23 ' O ' ' A' ' 41' ' ' THR . 14.3 t -106.95 59.84 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.3300000000000001 110.444 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.31 -59.07 2.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 2.4399999999999999 109.279 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.63 155.64 29.84 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 3.8799999999999999 110.997 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.31 4.86 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.556 1.819 . . . . 3.2200000000000002 110.998 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.43 -55.89 0.89 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 3.25 110.973 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.5 mmt -126.22 74.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 5.0099999999999998 110.95 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.15 50.9 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 6.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.8 t60 55.81 80.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 5.8300000000000001 109.592 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.5 t -119.33 79.14 19.78 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 2.1800000000000002 109.936 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.93 15.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.528 1.804 . . . . 2.0600000000000001 111.032 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mmt -124.12 134.35 53.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 2.6000000000000001 111.011 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.8 141.38 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 1.2 109.356 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.513 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -108.69 153.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 1.22 109.277 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.5 111.12 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 3.1000000000000001 109.32 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -133.13 175.04 9.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 1.1499999999999999 109.302 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -137.93 141.93 40.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 1.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.46 129.29 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 2.2599999999999998 109.294 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.8 m -143.77 134.43 25.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 1.45 110.009 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -74.88 157.32 50.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 1.3999999999999999 110.987 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.05 -157.97 32.65 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.066 -0.814 . . . . 2.2400000000000002 111.066 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.89 -31.62 32.21 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.037 -0.825 . . . . 2.1499999999999999 111.037 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.17 149.25 40.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.45 0.736 . . . . 3.0800000000000001 109.351 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -12.87 21.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 1.49 110.945 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -85.16 -19.11 32.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 2.0299999999999998 109.359 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.494 ' HG1' ' CE1' ' A' ' 24' ' ' HIS . 1.8 m -104.26 133.16 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.47 110.454 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.419 ' HA ' ' HA2' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -109.96 160.08 16.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 2.02 110.972 -179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 46.8 t -149.69 116.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 1.8100000000000001 109.3 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.98 121.44 45.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 1.1000000000000001 109.288 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.04 109.84 31.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 1.28 110.366 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.4 Cg_endo -74.98 135.71 19.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.547 1.814 . . . . 1.05 110.978 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.19 -29.3 61.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 1.29 109.344 179.938 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.26 149.93 37.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.4399999999999999 110.007 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 134.4 17.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.813 . . . . 1.3700000000000001 110.977 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 38' ' ' LEU . 39.6 mt -84.11 117.31 23.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.75 109.281 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.3 p -97.26 175.42 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.083 . . . . 0.75 110.368 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 101' ' ' VAL . . . -54.86 171.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.83999999999999997 109.322 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.66 -159.15 13.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.439 1.087 . . . . 0.70999999999999996 110.983 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.493 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 29.0 m -118.18 146.59 44.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.89000000000000001 110.362 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 40' ' ' MET . 36.7 m-85 -145.92 157.21 43.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 1.8200000000000001 111.046 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.22 113.14 12.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 5.04 109.319 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 21' ' ' ILE . 57.9 t -92.13 109.78 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.66000000000000003 109.283 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -105.62 117.31 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.8500000000000001 109.248 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.525 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 37.7 p-90 -104.51 150.61 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.82999999999999996 108.082 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.7 129.7 28.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 3.4100000000000001 110.261 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 34' ' ' SER . . . -112.15 104.67 12.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 2.3300000000000001 109.303 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 86' ' ' VAL . 30.0 t -114.11 61.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 5.5800000000000001 109.281 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' HG22 ' A' ' 90' ' ' THR . 23.3 t -109.31 175.09 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 6.4299999999999997 110.005 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 m -79.31 161.69 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 4.8300000000000001 109.998 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 90' ' ' THR . 13.7 m-20 44.97 57.97 4.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 7.6200000000000001 109.243 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 87' ' ' SER . 8.4 t -176.02 -37.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 8.9600000000000009 110.441 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.534 ' CG ' ' HD2' ' A' ' 92' ' ' PRO . 0.1 OUTLIER 78.72 172.49 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 6.1299999999999999 109.563 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HD2' ' CG ' ' A' ' 91' ' ' HIS . 18.4 Cg_endo -74.99 107.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.427 1.751 . . . . 2.1400000000000001 111.024 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 1' ' ' HIS . 51.5 mm -107.99 138.4 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 3.1099999999999999 109.318 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.4 p -113.69 149.74 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 1.3600000000000001 110.4 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.525 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -154.0 153.19 24.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.80000000000000004 110.989 -179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 142.35 30.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 0.8 . . . . 1.4199999999999999 110.001 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.872 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -137.12 105.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.64000000000000001 109.343 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 6.6 t -84.67 144.25 28.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.451 1.094 . . . . 0.81000000000000005 110.422 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 23.6 p90 -159.8 149.85 18.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 1.8 110.967 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -102.66 167.55 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 2.4199999999999999 109.342 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.657 HG13 ' H ' ' A' ' 17' ' ' ALA . 26.0 t -139.18 123.16 19.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.93000000000000005 109.321 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 2.7200000000000002 109.275 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.55 -0.537 . . . . 11.82 109.55 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 55.92 4.1 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 6.8099999999999996 111.017 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.64 141.49 23.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 5.1699999999999999 109.296 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.671 HD11 ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -54.94 106.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 1.54 109.259 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.778 HG21 ' H ' ' A' ' 26' ' ' SER . 91.9 t -51.94 -68.35 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.72999999999999998 109.324 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.13 148.41 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.56000000000000005 109.982 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.936 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.2 p -156.87 167.46 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.41999999999999998 109.997 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.591 ' O ' HG22 ' A' ' 8' ' ' THR . 7.6 m -138.04 57.1 12.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.97999999999999998 110.398 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.825 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.05 -68.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.5 110.994 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 178.75 44.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.526 1.141 . . . . 0.52000000000000002 109.253 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.15 104.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 2.77 110.322 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.63 37.07 0.5 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.514 1.134 . . . . 0.72999999999999998 111.018 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.6 95.14 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 0.733 . . . . 1.25 110.014 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -105.46 121.6 44.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 1.8899999999999999 110.299 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 146.99 -40.5 1.01 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.1 . . . . 0.89000000000000001 111.021 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.77 162.05 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 0.753 . . . . 1.8500000000000001 109.282 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -84.4 139.88 38.79 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 1.6100000000000001 109.265 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.1 Cg_endo -75.05 164.82 32.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.781 . . . . 1.24 110.989 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.12 -49.5 67.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.81999999999999995 109.264 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -155.42 152.63 29.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 3.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.525 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -84.84 142.22 13.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.5 109.249 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -117.03 151.42 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.394 1.059 . . . . 1.77 110.299 179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.3 mt -147.65 141.37 25.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.47999999999999998 109.287 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -134.06 158.65 43.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.143 . . . . 0.53000000000000003 109.53 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CE1' HD23 ' A' ' 4' ' ' LEU . 53.9 m-85 -155.67 130.72 9.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.143 . . . . 1.96 110.974 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.778 ' H ' HG21 ' A' ' 5' ' ' VAL . 12.2 m -71.87 -28.53 63.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 1.95 109.967 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -155.37 132.81 11.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 4.25 110.296 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' LEU . 4.1 t30 -167.57 -78.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 3.8300000000000001 109.297 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' ASN . 15.2 tp 36.12 68.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 7.8099999999999996 109.304 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.469 ' O ' ' C ' ' A' ' 31' ' ' THR . 2.4 t -150.99 -48.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 4.8899999999999997 109.324 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 31' ' ' THR . 7.7 t 33.64 61.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 4.3200000000000003 110.415 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -104.42 -73.02 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 4.5800000000000001 110.33 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.465 ' HB2' HG11 ' A' ' 86' ' ' VAL . 35.1 m-85 -106.37 19.87 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 3.8500000000000001 110.975 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.4 p -85.66 136.91 33.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 1.6699999999999999 109.996 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.93 -172.46 36.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.456 1.097 . . . . 0.83999999999999997 111.054 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -155.75 161.8 40.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.723 . . . . 0.82999999999999996 109.329 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -153.03 124.74 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 2.5099999999999998 109.324 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 79' ' ' TYR . 5.3 tp -97.38 130.3 44.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.69999999999999996 109.253 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.73 ' N ' HD12 ' A' ' 38' ' ' LEU . 10.4 m -128.15 134.66 64.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.79000000000000004 109.355 179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -91.05 94.38 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 1.78 110.916 -179.946 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -105.76 60.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 1.03 110.384 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.86 -65.02 0.63 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.447 1.092 . . . . 2.1000000000000001 109.273 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtt -139.9 161.97 53.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 3.9199999999999999 110.951 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 79.74 2.61 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 3.6099999999999999 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.93 -65.78 3.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 3.8999999999999999 111.029 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.2 mtp -121.22 92.58 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 5.46 111.022 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.2 78.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 5.75 110.315 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.3 p80 40.21 82.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 7.1100000000000003 109.559 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.1 90.74 50.27 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 2.2599999999999998 110.06 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.69 31.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 1.3 111.007 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -114.9 129.33 56.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 2.77 110.955 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.09 139.43 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 109.311 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 1.1 p -101.44 167.36 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.142 . . . . 0.94999999999999996 109.292 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -92.79 111.33 22.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 3.5699999999999998 109.289 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -149.62 174.58 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.66000000000000003 109.263 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.58 144.49 39.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.64000000000000001 109.294 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.722 HG12 HG13 ' A' ' 68' ' ' ILE . 3.1 m -109.78 126.29 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 2.1000000000000001 109.299 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.541 ' O ' HG12 ' A' ' 67' ' ' VAL . 13.0 m -143.35 151.41 40.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 1.5600000000000001 109.984 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -86.48 151.61 24.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 1.1699999999999999 111.0 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.55 -149.32 10.3 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.039 -0.824 . . . . 2.1000000000000001 111.039 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.35 -55.16 8.0 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.022 -0.831 . . . . 1.9399999999999999 111.022 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.22 157.84 33.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 2.27 109.303 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -12.72 21.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.445 1.761 . . . . 1.25 111.029 -179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.5 -14.65 48.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 3.48 109.292 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -107.55 119.31 39.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.76000000000000001 110.431 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -101.93 159.3 15.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 1.5600000000000001 111.032 179.955 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' SER . 7.3 p -153.34 124.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 2.8599999999999999 109.277 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.722 HG13 HG12 ' A' ' 57' ' ' VAL . 1.1 mp -101.18 123.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.56999999999999995 109.351 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -121.08 112.36 33.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.75 110.41 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.07 136.17 19.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.564 1.823 . . . . 0.73999999999999999 110.967 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.57 -21.84 55.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.77000000000000002 109.296 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.06 152.45 46.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.87 109.991 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.79 10.19 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.546 1.814 . . . . 0.72999999999999998 110.995 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 22.5 mt -74.84 116.8 15.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.56000000000000005 109.325 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.0 p -88.51 172.08 9.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.88 110.449 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -53.07 161.7 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.71999999999999997 109.32 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.72 -154.58 18.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.58999999999999997 110.974 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.441 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 23.9 m -132.33 135.13 45.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 0.742 . . . . 0.65000000000000002 110.342 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 38' ' ' LEU . 5.0 m-85 -136.61 153.93 50.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 2.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 96' ' ' SER . 0.2 OUTLIER -122.12 114.24 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 3.2400000000000002 109.284 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.648 HG22 HD13 ' A' ' 38' ' ' LEU . 70.8 t -91.76 98.05 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.66000000000000003 109.302 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.31 117.86 26.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.74 109.329 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 33.3 p-90 -114.65 156.11 25.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.66000000000000003 108.046 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -138.26 117.22 12.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 4.04 110.307 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.55 153.28 17.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 1.1299999999999999 109.341 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG11 ' HB2' ' A' ' 33' ' ' PHE . 77.4 t -149.83 140.14 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 2.4399999999999999 109.288 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.9 m -135.75 176.57 8.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 3.5600000000000001 110.091 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.79 145.43 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 3.54 110.022 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t0 66.39 161.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 5.3700000000000001 109.33 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.1 m -62.71 102.51 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 1.054 . . . . 4.7599999999999998 110.358 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -154.67 71.26 6.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 7.3899999999999997 109.567 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.14 5.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 2.3700000000000001 110.96 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.24 123.12 66.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 2.5800000000000001 109.26 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.7 p -109.85 137.33 47.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 1.1299999999999999 110.34 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -156.82 159.93 29.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.13 . . . . 0.63 110.978 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.42 ' HB2' ' NZ ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -143.36 166.79 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.72999999999999998 109.976 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.825 HG11 ' HG2' ' A' ' 9' ' ' PRO . 17.7 t -146.45 103.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.39000000000000001 109.262 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.2 t -84.74 142.23 29.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.54000000000000004 110.408 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 20.6 p90 -152.45 145.5 24.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 1.72 110.954 -179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -102.47 162.15 13.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 2.46 109.346 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 76' ' ' ALA . 91.2 t -136.19 122.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.56999999999999995 109.34 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 3.4300000000000002 109.298 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.575 -0.528 . . . . 10.970000000000001 109.575 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -91.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 5.5099999999999998 111.026 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' HG2' ' CH2' ' A' ' 83' ' ' TRP . 2.2 mttp -150.22 165.25 33.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.185 . . . . 5.4199999999999999 109.271 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 24' ' ' HIS . 0.0 OUTLIER -56.28 173.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.52 109.269 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.57 HG21 ' H ' ' A' ' 26' ' ' SER . 16.2 t -59.45 -78.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 1.3799999999999999 109.287 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.558 ' N ' HD22 ' A' ' 4' ' ' LEU . 9.3 m -142.52 154.31 44.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.87 109.974 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.939 ' HB2' HD23 ' A' ' 23' ' ' LEU . 55.2 p -157.93 165.58 34.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.413 1.071 . . . . 0.60999999999999999 110.019 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.608 ' O ' HG22 ' A' ' 8' ' ' THR . 5.3 m -137.7 58.35 16.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.82999999999999996 110.458 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HG2' HG21 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.96 -69.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.527 1.804 . . . . 0.42999999999999999 111.027 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 13' ' ' SER . . . 178.14 44.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.51000000000000001 109.296 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.592 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -41.49 105.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 2.6200000000000001 110.31 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.34 39.68 2.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.73999999999999999 110.97 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.587 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 3.2 t -71.96 98.72 2.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 2.2999999999999998 109.989 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -108.95 125.44 52.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.415 1.072 . . . . 2.1899999999999999 110.224 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.54 -45.07 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 1.1399999999999999 110.995 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -169.92 157.77 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 0.751 . . . . 2.0099999999999998 109.312 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -78.65 137.49 58.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 1.9199999999999999 109.292 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 17' ' ' ALA . 18.3 Cg_endo -75.0 157.65 42.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.434 1.755 . . . . 1.3700000000000001 111.07 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . . . -55.08 -53.89 50.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.76000000000000001 109.369 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.755 ' HE2' ' HB3' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -154.87 156.77 36.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 2.8500000000000001 109.347 179.926 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.586 HG23 ' HB3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -85.65 142.47 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.59999999999999998 109.301 -179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 1.7 mt-10 -116.65 150.1 38.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 2.4399999999999999 110.332 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.939 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.3 mt -147.61 144.31 28.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.56000000000000005 109.316 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.613 ' O ' HD23 ' A' ' 4' ' ' LEU . 70.0 m-70 -134.83 157.41 46.87 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.80000000000000004 109.624 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' CB ' ' A' ' 4' ' ' LEU . 10.8 m-85 -155.33 108.14 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 2.4900000000000002 111.01 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.57 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -69.71 -6.83 34.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 2.1800000000000002 110.043 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -118.42 59.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 4.7699999999999996 110.304 179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' GLU . 2.4 t30 -40.01 131.86 1.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 6.6500000000000004 109.338 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' VAL . 1.3 tp -156.13 25.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 6.6900000000000004 109.284 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 31' ' ' THR . 1.0 OUTLIER 55.87 166.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 5.4699999999999998 109.293 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 31' ' ' THR . 14.7 t -80.52 50.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 5.8799999999999999 110.361 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' OE1' HG12 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -38.98 94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 5.8200000000000003 110.212 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' THR . 61.2 m-85 39.18 28.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 5.1500000000000004 110.951 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -105.95 175.61 5.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 1.28 110.02 179.969 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.55 -161.01 34.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.588 1.18 . . . . 0.88 111.01 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.56 174.21 11.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 0.804 . . . . 0.85999999999999999 109.325 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.66 127.06 8.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.588 1.18 . . . . 2.23 109.362 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.796 HD13 HG22 ' A' ' 81' ' ' VAL . 13.5 tp -95.22 131.37 41.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.91000000000000003 109.323 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 80' ' ' LYS . 34.0 m -127.55 137.6 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.92000000000000004 109.286 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.556 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -93.15 94.68 8.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 1.6699999999999999 111.015 179.925 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.69 HG23 ' O ' ' A' ' 41' ' ' THR . 13.9 t -98.78 59.7 1.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 1.22 110.432 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.1 -167.28 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 2.3300000000000001 109.274 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.6 ptp -47.46 142.4 6.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 6.5599999999999996 111.073 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -88.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 6.04 111.024 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.0 -60.67 1.39 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.46 1.1 . . . . 5.2000000000000002 111.025 179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 69.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 0.718 . . . . 6.8700000000000001 110.966 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.5 70.89 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 6.9800000000000004 110.353 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.55 46.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 13.1 109.58 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.497 ' CB ' ' HD3' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -83.68 -55.85 0.47 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 6.5300000000000002 109.971 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 49' ' ' SER . 18.5 Cg_endo -74.98 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 3.0299999999999998 110.993 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -140.87 129.43 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 3.2999999999999998 110.969 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.67 143.4 44.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.3100000000000001 109.327 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.61 HG11 HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.79 166.26 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 1.46 109.298 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -100.32 92.96 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 4.4500000000000002 109.354 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -121.49 175.24 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.03 109.35 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.66 150.79 52.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.83999999999999997 109.299 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.91 123.45 71.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 1.9399999999999999 109.295 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 m -131.22 175.65 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 1.22 110.068 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -112.06 154.58 16.72 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.433 1.083 . . . . 0.91000000000000003 111.053 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.37 60.3 2.21 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.928 -0.869 . . . . 2.4100000000000001 110.928 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.75 -62.27 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.997 -0.841 . . . . 2.48 110.997 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.62 154.32 41.12 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 2.8199999999999998 109.304 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.818 . . . . 1.3899999999999999 110.956 -179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.44 -37.31 14.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 2.2799999999999998 109.253 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.2 m -95.89 123.85 39.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.68000000000000005 110.397 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.457 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 1.6 mpp? -109.34 162.63 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.53 110.952 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 8.4 p -156.02 122.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 2.54 109.34 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 23' ' ' LEU . 1.2 mp -96.45 126.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.71999999999999997 109.313 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -130.11 112.13 17.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.88 110.338 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.1 Cg_endo -75.02 135.56 19.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.89000000000000001 110.968 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.86 -32.73 73.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 1.23 109.309 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.3 155.4 36.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 1.1899999999999999 110.056 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 139.31 24.32 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 1.25 111.061 179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.621 HD21 HD21 ' A' ' 38' ' ' LEU . 28.7 mt -85.1 116.25 23.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.77000000000000002 109.311 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.1 p -91.09 174.53 7.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.1399999999999999 110.429 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -59.35 160.95 6.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 1.0900000000000001 109.256 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -143.52 14.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 1.0900000000000001 111.023 -179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.489 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 49.0 m -133.95 141.77 47.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 1.1799999999999999 110.484 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 30.1 m-85 -144.21 154.85 43.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 2.29 111.02 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -133.49 114.33 13.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 3.1800000000000002 109.252 -179.949 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.796 HG22 HD13 ' A' ' 38' ' ' LEU . 31.7 t -92.79 103.11 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.68999999999999995 109.34 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -91.66 117.76 30.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 1.77 109.274 -179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.572 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 23.6 p-90 -115.22 153.49 30.77 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.955 -1.128 . . . . 0.77000000000000002 107.955 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.649 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -148.75 125.54 11.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 4.9199999999999999 110.292 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 93' ' ' ILE . . . -115.14 113.75 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.3799999999999999 109.272 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 71.4 t -85.31 150.65 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 2.5899999999999999 109.281 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -150.02 172.01 15.93 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 1.081 . . . . 3.1400000000000001 110.02 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.57 162.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 3.6800000000000002 109.986 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.15 172.81 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 6.1600000000000001 109.275 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -79.74 -179.51 6.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 4.8099999999999996 110.426 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 57.52 85.68 0.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 4.9699999999999998 109.586 179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -172.96 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 1.8600000000000001 111.026 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.596 HD12 ' O ' ' A' ' 85' ' ' ALA . 1.9 mt -105.1 136.19 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 3.5699999999999998 109.294 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.649 HG22 ' HG2' ' A' ' 84' ' ' ARG . 64.6 p -138.77 148.38 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 1.6100000000000001 110.328 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.572 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -164.84 162.41 35.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 1.02 110.966 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.41 ' CB ' ' HE2' ' A' ' 80' ' ' LYS . 0.8 OUTLIER -140.06 149.79 43.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 1.04 109.992 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.743 HG21 ' HG2' ' A' ' 9' ' ' PRO . 86.3 t -130.48 99.49 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.76000000000000001 109.297 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.6 t -84.7 145.9 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.88 110.45 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 32.8 p90 -157.04 152.79 26.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 1.9199999999999999 111.043 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.35 161.26 15.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 3.9900000000000002 109.307 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 17' ' ' ALA . 92.7 t -134.28 127.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 1.1200000000000001 109.293 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 3.1000000000000001 109.346 179.972 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 65.2 m80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 9.6600000000000001 109.598 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 101.67 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 8.9399999999999995 110.993 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.29 162.78 16.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 4.7400000000000002 109.279 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.709 ' C ' HD22 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -59.48 110.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 1.6899999999999999 109.292 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' ' 4' ' ' LEU . 93.1 t -56.92 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.147 . . . . 0.71999999999999997 109.328 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.468 ' O ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -142.05 151.28 42.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.55000000000000004 109.975 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.819 ' HB2' HD23 ' A' ' 23' ' ' LEU . 53.9 p -157.56 167.02 31.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.48999999999999999 109.985 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.517 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 22.0 m -136.49 58.62 21.41 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.77000000000000002 110.458 179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.827 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.96 -69.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.772 . . . . 0.5 110.997 -179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.668 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . 175.21 45.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.619 1.2 . . . . 0.51000000000000001 109.299 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.08 110.67 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 3.2000000000000002 110.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 37.57 37.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 0.70999999999999996 111.039 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.504 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -74.83 100.87 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 1.22 109.973 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.62 116.41 31.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 2.1200000000000001 110.312 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.95 -42.86 0.53 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.461 1.101 . . . . 0.89000000000000001 110.975 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.21 165.55 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 1.8799999999999999 109.247 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 101' ' ' VAL . . . -85.7 138.61 35.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 1.78 109.257 -179.907 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.668 ' HG3' ' HB2' ' A' ' 10' ' ' ALA . 18.1 Cg_endo -75.02 139.98 24.85 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.516 1.798 . . . . 1.5900000000000001 110.989 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.48 -43.92 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.1899999999999999 109.311 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 149.43 25.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 2.27 109.254 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.547 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -89.08 140.82 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.5 109.312 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 1.1 mt-10 -107.94 150.46 27.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 2.02 110.319 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.819 HD23 ' HB2' ' A' ' 7' ' ' SER . 16.9 mt -146.64 142.79 28.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.65000000000000002 109.31 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.533 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 58.9 m-70 -136.31 156.84 48.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.68999999999999995 109.617 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 24' ' ' HIS . 18.7 m-85 -155.19 95.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 2.1000000000000001 111.09 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.93 -6.58 33.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 2.0699999999999998 109.932 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -142.15 85.45 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 4.6100000000000003 110.297 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.865 ' C ' HD23 ' A' ' 29' ' ' LEU . 22.4 t30 -150.45 -54.35 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.138 . . . . 3.5 109.292 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.865 HD23 ' C ' ' A' ' 28' ' ' ASN . 1.4 pt? 46.58 45.23 14.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 8.1199999999999992 109.318 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.597 ' H ' ' ND2' ' A' ' 28' ' ' ASN . 1.7 t -141.38 155.52 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 5.6600000000000001 109.299 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 32' ' ' GLN . 10.6 t -62.68 -49.16 76.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 7.8700000000000001 110.456 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' N ' HG23 ' A' ' 31' ' ' THR . 0.0 OUTLIER -173.71 -80.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 12.73 110.26 -179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' HB3' HG11 ' A' ' 86' ' ' VAL . 8.2 m-85 55.71 22.11 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 9.0999999999999996 110.965 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.8 p -126.63 175.05 8.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 2.23 109.983 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.76 150.85 22.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.449 1.093 . . . . 1.3300000000000001 111.01 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.38 162.02 36.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.92000000000000004 109.316 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -154.92 126.23 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 2.5099999999999998 109.348 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.927 HD13 HG22 ' A' ' 81' ' ' VAL . 13.7 tp -97.67 129.74 44.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 1.1799999999999999 109.236 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.2 m -113.59 143.66 22.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 1.23 109.328 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.571 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -97.45 97.06 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 2.5499999999999998 111.033 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.449 HG21 ' HD3' ' A' ' 80' ' ' LYS . 2.8 t -109.56 60.53 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.4199999999999999 110.417 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.5 -73.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 2.1400000000000001 109.345 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.38 114.43 15.89 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 3.6400000000000001 111.01 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 121.67 6.75 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.455 1.766 . . . . 3.2999999999999998 110.989 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.36 -56.48 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 3.6499999999999999 110.96 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -94.09 85.14 4.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 0.751 . . . . 5.4100000000000001 111.032 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' MET . 0.4 OUTLIER 33.83 89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 6.8300000000000001 110.305 -179.895 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER 38.76 81.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 5.9199999999999999 109.614 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.4 75.12 61.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 2.8599999999999999 109.979 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.94 13.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 2.1000000000000001 110.973 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.63 156.02 48.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 3.2599999999999998 111.035 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.97 145.58 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 1.1799999999999999 109.281 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' LEU . 1.7 p -110.42 158.84 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.1599999999999999 109.349 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.22 116.91 25.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 4.5499999999999998 109.251 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -148.4 175.02 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.96999999999999997 109.302 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -146.65 138.02 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 1.1699999999999999 109.255 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -103.22 126.75 57.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 2.2599999999999998 109.341 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.5 m -132.39 175.78 8.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 1.4299999999999999 110.002 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -99.36 153.04 19.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.92000000000000004 110.907 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.75 -120.47 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.965 -0.854 . . . . 2.1099999999999999 110.965 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -102.86 25.18 28.29 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.038 -0.825 . . . . 3.2200000000000002 111.038 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -176.72 158.54 1.53 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 2.6099999999999999 109.301 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -2.87 13.1 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.446 1.761 . . . . 1.6699999999999999 111.049 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.59 -13.0 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 3.3799999999999999 109.3 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.436 ' OG1' ' ND1' ' A' ' 24' ' ' HIS . 1.2 m -117.97 132.36 56.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.78000000000000003 110.398 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.469 ' CB ' ' HB2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.21 167.54 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 1.4399999999999999 110.942 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 21' ' ' ILE . 8.7 p -156.19 137.52 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 2.6200000000000001 109.329 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.794 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -106.17 123.38 60.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.552 1.157 . . . . 0.5 109.316 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.506 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.48 107.94 23.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.90000000000000002 110.384 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.2 Cg_endo -75.04 134.78 18.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.80000000000000004 111.003 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.68 61.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 1.3600000000000001 109.341 179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.73 152.38 44.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 1.01 110.028 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 137.2 21.39 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.572 1.827 . . . . 1.1200000000000001 111.008 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 17' ' ' ALA . 25.7 mt -88.24 117.53 27.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.67000000000000004 109.289 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 p -95.25 167.21 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.75 110.36 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.609 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -46.38 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.592 1.183 . . . . 0.72999999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.86 -156.2 15.75 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.58999999999999997 110.987 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.479 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 90.4 m -128.53 141.27 51.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.72999999999999998 110.336 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.785 ' HB3' HD11 ' A' ' 38' ' ' LEU . 13.0 m-85 -142.32 163.14 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 2.02 110.952 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.449 ' HD3' HG21 ' A' ' 41' ' ' THR . 0.2 OUTLIER -134.85 115.59 13.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 5.29 109.317 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.927 HG22 HD13 ' A' ' 38' ' ' LEU . 38.6 t -91.17 104.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.66000000000000003 109.29 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -98.28 109.94 22.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 2.0899999999999999 109.293 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.522 ' CE2' ' HA3' ' A' ' 95' ' ' GLY . 61.3 p-90 -105.55 155.74 18.91 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.962 -1.125 . . . . 0.78000000000000003 107.962 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.643 ' CG ' HG22 ' A' ' 94' ' ' THR . 0.1 OUTLIER -139.47 128.34 23.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 3.7599999999999998 110.308 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.69 147.86 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 1.4299999999999999 109.328 179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' HB3' ' A' ' 33' ' ' PHE . 3.5 p -84.95 169.66 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.587 1.179 . . . . 2.8599999999999999 109.274 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 86' ' ' VAL . 2.6 p -158.04 -47.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 5.9100000000000001 109.941 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 0.3 OUTLIER 73.82 161.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 5.9100000000000001 109.965 -179.994 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 88' ' ' SER . 0.3 OUTLIER 75.83 -59.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 5.6299999999999999 109.278 -179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 57.9 p -114.53 174.05 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 5.0 110.405 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -42.99 154.62 0.29 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 4.6900000000000004 109.6 -179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.7 9.57 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.545 1.813 . . . . 2.3500000000000001 111.025 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.5 mm -113.95 139.61 38.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 2.7400000000000002 109.26 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.643 HG22 ' CG ' ' A' ' 84' ' ' ARG . 71.4 p -131.04 168.48 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.84999999999999998 110.39 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.522 ' HA3' ' CE2' ' A' ' 83' ' ' TRP . . . -168.69 160.5 34.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.69999999999999996 111.031 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.52 150.88 37.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 1.04 110.0 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.5 t -142.7 100.51 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.60999999999999999 109.312 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -85.69 137.95 32.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.64000000000000001 110.367 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 4.6 p90 -151.87 152.9 33.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.427 1.079 . . . . 1.79 110.998 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -107.33 162.12 14.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 2.8100000000000001 109.273 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' ' 76' ' ' ALA . 97.8 t -136.73 121.0 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.57999999999999996 109.311 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 2.4300000000000002 109.307 179.998 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 12.8 m170 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.594 -0.521 . . . . 8.8699999999999992 109.594 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.687 ' HA ' HG23 ' A' ' 93' ' ' ILE . 18.2 Cg_endo -74.98 55.57 3.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 6.7199999999999998 111.028 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -139.36 128.0 23.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 5.2699999999999996 109.303 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.862 ' C ' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.03 171.45 8.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.46 109.299 -179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.64 HG11 ' H ' ' A' ' 26' ' ' SER . 47.8 t -54.03 -81.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.568 1.168 . . . . 1.4399999999999999 109.353 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -145.42 142.78 29.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.96999999999999997 109.994 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.862 ' HB2' HD23 ' A' ' 23' ' ' LEU . 72.9 p -155.98 167.66 29.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.47999999999999998 109.972 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.661 ' O ' HG22 ' A' ' 8' ' ' THR . 2.7 m -135.85 57.31 18.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.72999999999999998 110.446 179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.94 -59.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.55000000000000004 110.966 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 162.17 45.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.73999999999999999 109.278 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.541 ' HA ' HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -42.41 105.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 3.29 110.295 179.973 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 33.37 60.8 0.46 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 1.22 111.048 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.36 131.09 57.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 2.3399999999999999 109.978 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -101.78 128.92 47.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 3.2200000000000002 110.318 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' ALA . . . -154.03 -115.41 0.57 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 1.74 111.0 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 15' ' ' GLY . . . 178.43 76.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 4.6600000000000001 109.259 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 74' ' ' LEU . . . 68.8 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 2.7999999999999998 109.367 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -74.98 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 2.3500000000000001 110.987 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.34 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.95999999999999996 109.349 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 164.37 37.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 2.5699999999999998 109.28 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.578 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -103.88 137.29 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 1.05 109.279 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -104.9 149.01 26.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.092 . . . . 1.6699999999999999 110.354 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.862 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.8 mt -147.9 143.67 27.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.83999999999999997 109.35 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' ' CD2' ' A' ' 4' ' ' LEU . 38.7 m-70 -141.26 165.79 26.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.78000000000000003 109.564 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -155.39 102.66 2.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 2.0899999999999999 110.975 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.64 ' H ' HG11 ' A' ' 5' ' ' VAL . 30.0 t -69.44 -7.21 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 1.6399999999999999 110.006 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -177.64 103.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 3.9100000000000001 110.351 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.48 ' OD1' ' HB1' ' A' ' 85' ' ' ALA . 0.7 OUTLIER -176.69 -45.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 5.6600000000000001 109.293 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.52 ' O ' HG22 ' A' ' 31' ' ' THR . 0.6 OUTLIER 38.99 91.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 5.9299999999999997 109.359 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.767 HG22 ' HB3' ' A' ' 34' ' ' SER . 41.7 t -39.02 -91.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 5.79 109.254 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.588 ' N ' HG12 ' A' ' 30' ' ' VAL . 2.4 t 35.75 34.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 5.4000000000000004 110.437 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -141.05 -86.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 6.1500000000000004 110.27 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -159.83 30.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 4.3499999999999996 110.943 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.767 ' HB3' HG22 ' A' ' 30' ' ' VAL . 17.8 t -84.35 148.43 26.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 1.79 110.013 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.18 -166.37 27.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.441 1.088 . . . . 0.93000000000000005 111.056 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -155.51 160.16 40.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.55 0.794 . . . . 0.79000000000000004 109.293 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -154.9 128.03 8.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 2.5499999999999998 109.33 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 39' ' ' VAL . 7.8 tp -89.68 130.47 35.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.83999999999999997 109.365 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.589 ' N ' HD12 ' A' ' 38' ' ' LEU . 11.2 m -126.88 136.64 60.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.75 109.319 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -93.39 94.94 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.6399999999999999 111.042 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 41' ' ' THR . 13.3 t -102.54 59.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.93000000000000005 110.348 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.37 -41.19 4.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 2.0099999999999998 109.32 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.76 100.17 21.85 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 4.46 111.021 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 65.37 6.1 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.488 1.783 . . . . 6.1600000000000001 110.968 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -165.27 48.43 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 5.71 111.017 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 37.1 mmm -131.94 62.57 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 5.7199999999999998 110.993 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 46.09 30.24 0.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 6.7000000000000002 110.315 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.5 t60 60.75 72.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 8.0199999999999996 109.646 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.84 74.76 12.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 3.7000000000000002 110.096 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.4 20.46 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.448 1.762 . . . . 2.1400000000000001 110.956 -179.931 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtp -106.44 107.11 17.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 2.5699999999999998 110.989 -179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.21 141.77 57.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 1.1200000000000001 109.307 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.432 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 2.8 p -113.54 137.8 45.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 1.4099999999999999 109.277 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -64.6 91.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 3.1899999999999999 109.316 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -118.58 175.16 5.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.1100000000000001 109.356 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -135.68 139.18 43.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.4199999999999999 109.282 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.5 t -105.59 117.96 52.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 2.9100000000000001 109.264 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.9 m -113.2 174.24 6.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 1.3899999999999999 109.951 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.65 152.82 24.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.46 1.1 . . . . 0.97999999999999998 111.03 179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.43 43.16 3.17 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.823 . . . . 2.21 111.041 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.16 -49.49 4.11 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.982 -0.847 . . . . 4.1399999999999997 110.982 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -85.99 147.46 45.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 3.4500000000000002 109.243 -179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -0.7 10.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 2.98 111.02 179.918 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -24.5 16.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 2.8100000000000001 109.321 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.495 ' O ' ' HE2' ' A' ' 66' ' ' MET . 2.5 m -104.17 117.08 33.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 1.05 110.36 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.495 ' HE2' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -122.79 151.25 41.83 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 1.25 111.003 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.16 118.15 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 1.8300000000000001 109.291 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -88.53 123.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.04 109.359 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 69' ' ' THR . 0.6 OUTLIER -133.4 101.36 13.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 1.01 110.409 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.0 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 1.02 110.922 -179.925 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.5 -34.02 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.3799999999999999 109.328 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.88 147.49 33.07 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 1.1599999999999999 109.998 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.65 10.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.438 1.757 . . . . 1.1200000000000001 110.954 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.716 HD12 ' HD2' ' A' ' 18' ' ' PRO . 25.1 mt -64.13 117.54 7.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.88 109.297 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 30.2 p -87.08 160.31 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.76000000000000001 110.427 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -44.99 151.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.81999999999999995 109.311 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.95 -160.53 23.9 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.108 . . . . 0.56999999999999995 110.971 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.536 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 44.7 m -124.96 137.9 54.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.63 110.373 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 99' ' ' PHE . 3.7 m-85 -141.36 173.31 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 1.79 111.015 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -153.49 120.41 5.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 2.8799999999999999 109.319 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.568 HG22 HD13 ' A' ' 38' ' ' LEU . 75.6 t -84.96 107.48 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.87 109.316 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.39 118.26 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 2.3199999999999998 109.324 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.582 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 19.2 p-90 -116.85 149.2 40.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.57999999999999996 107.99 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.849 ' HG2' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -134.13 130.73 37.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 2.8399999999999999 110.348 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.48 ' HB1' ' OD1' ' A' ' 28' ' ' ASN . . . -121.61 119.72 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.93999999999999995 109.296 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 92' ' ' PRO . 88.9 t -99.98 105.04 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 2.9199999999999999 109.267 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 m -71.5 165.53 23.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 3.6800000000000002 109.959 -179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.9 p -72.01 66.06 0.58 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 3.6800000000000002 109.989 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -176.14 168.91 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 5.6399999999999997 109.256 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 59.9 p -82.99 62.66 6.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 5.54 110.351 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -168.22 82.18 0.78 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 4.9100000000000001 109.53 -179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.464 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.3 Cg_endo -75.03 150.28 37.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 1.76 111.015 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.687 HG23 ' HA ' ' A' ' 2' ' ' PRO . 4.8 mp -116.06 141.03 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 2.6499999999999999 109.292 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.849 HG22 ' HG2' ' A' ' 84' ' ' ARG . 25.0 p -121.63 142.38 50.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 1.1299999999999999 110.412 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.582 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -145.19 164.09 28.01 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.51000000000000001 110.986 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.66 149.91 28.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.81000000000000005 109.971 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.807 HG11 ' HG2' ' A' ' 9' ' ' PRO . 15.9 t -126.36 106.82 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.46999999999999997 109.305 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.6 t -87.79 135.33 33.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 0.44 110.346 -179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 6.8 p90 -146.77 160.65 41.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 1.8999999999999999 111.024 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.36 162.06 13.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 3.9500000000000002 109.281 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.685 HG12 ' HA ' ' A' ' 76' ' ' ALA . 17.0 t -145.53 112.4 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.64000000000000001 109.277 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 2.5600000000000001 109.362 179.937 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.584 -0.524 . . . . 10.35 109.584 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 109.39 2.92 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.507 1.793 . . . . 4.8600000000000003 110.98 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -136.31 160.94 37.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 4.3300000000000001 109.289 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -53.3 173.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.97999999999999998 109.242 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.627 ' N ' HD22 ' A' ' 4' ' ' LEU . 71.1 t -64.91 -84.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.73999999999999999 109.354 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.537 ' C ' HD21 ' A' ' 4' ' ' LEU . 1.4 m -133.89 150.4 51.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.65000000000000002 109.98 179.92 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.957 ' HB2' HD23 ' A' ' 23' ' ' LEU . 79.9 p -157.31 165.38 35.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.428 1.08 . . . . 0.47999999999999998 110.035 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.526 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 54.8 m -136.9 58.3 18.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.473 1.108 . . . . 0.63 110.384 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.772 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.4 Cg_endo -75.01 -64.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.782 . . . . 0.46999999999999997 110.995 179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 164.46 45.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.70999999999999996 109.298 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.59 109.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 3.0800000000000001 110.346 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 36.35 53.25 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 1.2 111.015 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.29 116.5 32.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 1.71 110.041 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -101.84 122.61 44.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 3.0899999999999999 110.276 179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.3 -87.39 0.07 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.538 1.149 . . . . 1.6499999999999999 110.97 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -177.47 -169.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 2.1000000000000001 109.256 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 101' ' ' VAL . . . -43.52 109.69 0.83 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 2.8999999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 74' ' ' LEU . 18.0 Cg_endo -75.09 -170.62 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.468 1.773 . . . . 2.1099999999999999 110.996 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.79 -71.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.82999999999999996 109.33 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.72 150.83 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 2.8300000000000001 109.339 -179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.506 ' CG1' ' HA ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -86.56 145.86 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.48999999999999999 109.335 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' C ' ' HG ' ' A' ' 23' ' ' LEU . 2.3 tt0 -117.05 149.32 40.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 2.3399999999999999 110.277 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' A' ' 7' ' ' SER . 12.2 mt -147.85 143.72 27.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.51000000000000001 109.322 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 61.3 m-70 -134.55 156.97 47.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.64000000000000001 109.646 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 6.5 m-85 -152.91 106.87 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 2.6899999999999999 111.039 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.609 ' H ' HG21 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -71.04 -5.97 35.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 1.55 109.992 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -116.82 28.12 8.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 3.8599999999999999 110.32 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.676 ' OD1' HG23 ' A' ' 30' ' ' VAL . 4.4 t-20 61.44 143.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 4.0499999999999998 109.335 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.974 HD13 ' HE3' ' A' ' 66' ' ' MET . 1.6 tt -115.87 54.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 8.7400000000000002 109.328 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG23 ' OD1' ' A' ' 28' ' ' ASN . 1.1 t -41.72 142.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 4.0199999999999996 109.357 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 t -96.86 61.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 4.4000000000000004 110.43 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 4.5 tp60 -95.03 -44.72 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 5.0300000000000002 110.256 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -148.85 20.62 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 3.96 110.957 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.52 164.71 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 1.5700000000000001 110.02 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 165.45 154.31 8.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.415 1.072 . . . . 1.3200000000000001 111.006 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.66 160.26 39.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.71999999999999997 109.313 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.31 130.16 9.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 2.4300000000000002 109.309 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.925 HD12 ' N ' ' A' ' 39' ' ' VAL . 3.0 tp -93.86 137.96 32.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.95999999999999996 109.329 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.925 ' N ' HD12 ' A' ' 38' ' ' LEU . 17.1 m -132.4 134.98 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.56999999999999995 109.328 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 13.2 ttt -88.08 96.28 10.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 2.5899999999999999 111.008 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t -105.0 58.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 1.077 . . . . 0.95999999999999996 110.415 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.19 -61.91 2.0 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 2.0800000000000001 109.285 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.87 162.35 44.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 3.9900000000000002 111.026 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 3.4300000000000002 110.976 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.55 -57.83 1.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 3.8799999999999999 111.015 179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -131.4 75.9 1.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 5.7300000000000004 111.069 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 51.28 65.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 6.4100000000000001 110.331 -179.893 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 5.7 t60 65.48 77.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 5.9299999999999997 109.593 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.79 75.58 42.68 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 2.5 110.054 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 174.9 12.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 1.7 110.962 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.2 mmt -124.66 120.95 33.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 2.3599999999999999 111.0 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.46 160.65 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 1.3899999999999999 109.332 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.409 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.13 124.28 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 1.4299999999999999 109.265 -179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -52.35 104.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 3.52 109.332 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -141.48 174.15 10.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.63 109.288 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.66 145.29 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.91000000000000003 109.371 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG23 ' CD1' ' A' ' 68' ' ' ILE . 9.4 p -92.56 131.2 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.451 1.094 . . . . 2.23 109.272 -179.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.61 124.66 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.22 109.986 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 66' ' ' MET . . . -70.51 153.0 51.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.12 . . . . 0.93999999999999995 111.026 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.26 -143.09 7.11 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.998 -0.841 . . . . 1.9399999999999999 110.998 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.33 -46.53 91.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.961 -0.856 . . . . 2.48 110.961 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -106.01 157.01 35.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 3.3700000000000001 109.269 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -12.33 21.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 1.9299999999999999 110.993 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -15.59 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 2.6499999999999999 109.351 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.532 ' OG1' ' CE1' ' A' ' 24' ' ' HIS . 3.5 m -108.19 114.87 29.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.84999999999999998 110.447 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.974 ' HE3' HD13 ' A' ' 29' ' ' LEU . 3.3 tpp -98.85 153.5 18.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 1.8799999999999999 110.944 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 77.4 t -142.66 116.98 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.583 1.177 . . . . 1.72 109.288 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.534 HD13 HD11 ' A' ' 23' ' ' LEU . 1.1 mp -87.88 122.97 40.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.5 109.317 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -126.73 111.32 22.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.60999999999999999 110.354 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.53 1.805 . . . . 0.52000000000000002 111.065 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.41 -17.58 63.02 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.91000000000000003 109.279 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 149.97 51.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.85999999999999999 110.0 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 133.05 16.08 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.81000000000000005 110.991 -179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.658 HD12 ' HD2' ' A' ' 18' ' ' PRO . 31.4 mt -73.05 115.19 12.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.81000000000000005 109.279 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.2 p -84.68 165.65 17.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.69999999999999996 110.376 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.608 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -50.28 131.92 24.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 1.1200000000000001 109.265 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 152.2 -158.28 27.73 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.586 1.179 . . . . 0.71999999999999997 111.039 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.496 ' C ' ' CD1' ' A' ' 79' ' ' TYR . 17.0 m -129.94 138.33 50.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.83999999999999997 110.383 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.884 ' HB3' HD11 ' A' ' 38' ' ' LEU . 2.7 m-85 -139.92 173.81 11.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 1.95 110.998 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.7 114.34 6.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 2.1800000000000002 109.245 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.773 HG22 ' HB2' ' A' ' 38' ' ' LEU . 64.9 t -85.48 110.24 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.62 109.289 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -94.32 122.28 36.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 1.8700000000000001 109.337 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 24.3 p-90 -118.84 152.26 36.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.194 . . . . 0.5 107.949 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -142.51 120.43 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 4.1600000000000001 110.365 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 93' ' ' ILE . . . -113.28 118.0 33.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.93999999999999995 109.309 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.757 HG22 ' HB3' ' A' ' 92' ' ' PRO . 50.2 t -100.81 86.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 2.9300000000000002 109.283 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -49.18 6.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 2.98 110.025 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.1 t 171.0 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 3.7999999999999998 109.965 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -158.43 -156.23 0.54 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 1.123 . . . . 5.8499999999999996 109.26 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 90' ' ' THR . 51.9 m 47.33 55.08 8.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 6.0099999999999998 110.459 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.3 m170 62.18 141.47 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 5.0999999999999996 109.586 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.757 ' HB3' HG22 ' A' ' 86' ' ' VAL . 18.6 Cg_endo -74.96 -171.86 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 1.79 111.036 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.402 HD12 ' O ' ' A' ' 85' ' ' ALA . 5.3 mt -123.56 91.52 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 3.0800000000000001 109.255 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.5 p -89.13 148.29 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.93000000000000005 110.399 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . -170.37 158.74 30.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.46000000000000002 111.028 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 81' ' ' VAL . 1.4 m -144.16 160.48 40.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.486 0.757 . . . . 0.91000000000000003 109.998 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.772 HG11 ' HG2' ' A' ' 9' ' ' PRO . 7.5 t -138.28 109.8 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.45000000000000001 109.317 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 9.2 t -92.1 133.59 35.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.54000000000000004 110.449 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 5.2 p90 -141.23 157.35 45.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 1.76 110.941 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -106.87 159.36 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 5.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' A' ' 76' ' ' ALA . 48.9 t -140.3 114.92 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.59999999999999998 109.247 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 2.2400000000000002 109.329 -179.994 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.456 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.618 -0.512 . . . . 10.380000000000001 109.618 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' CD ' ' N ' ' A' ' 1' ' ' HIS . 18.2 Cg_endo -75.11 55.44 4.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.436 1.756 . . . . 5.2599999999999998 110.986 -179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.85 150.19 32.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 4.2400000000000002 109.304 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -54.58 173.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.93999999999999995 109.345 179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.36 -78.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.81999999999999995 109.277 -179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.549 ' N ' HD22 ' A' ' 4' ' ' LEU . 1.4 m -144.4 151.77 39.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.64000000000000001 110.019 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.973 ' HB2' HD23 ' A' ' 23' ' ' LEU . 59.4 p -156.48 165.24 36.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.35999999999999999 109.99 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.484 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 5.9 m -138.68 60.51 19.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.72999999999999998 110.425 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HG2' HG11 ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 -77.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.40999999999999998 111.033 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB1' ' CB ' ' A' ' 99' ' ' PHE . . . -172.34 47.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.56000000000000005 109.28 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -44.37 103.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 2.25 110.295 179.985 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . 37.82 36.89 0.34 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.101 . . . . 0.78000000000000003 110.952 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.74 96.6 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 0.754 . . . . 1.1499999999999999 109.922 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -103.42 122.26 44.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 1.74 110.274 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.32 -52.23 0.54 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.547 1.154 . . . . 0.96999999999999997 110.957 179.938 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' HA ' HG13 ' A' ' 101' ' ' VAL . . . -166.89 162.22 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 0.722 . . . . 1.8899999999999999 109.271 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.95 140.39 73.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 1.6499999999999999 109.318 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -74.97 -1.27 10.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 3.1600000000000001 110.965 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 84.62 -48.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.99 109.278 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.06 166.04 27.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 3.6499999999999999 109.243 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG21 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -108.98 147.38 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.52000000000000002 109.324 -179.946 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.454 ' OE1' ' CD2' ' A' ' 24' ' ' HIS . 0.1 OUTLIER -117.36 147.99 42.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 2.4199999999999999 110.321 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.973 HD23 ' HB2' ' A' ' 7' ' ' SER . 13.6 mt -148.11 144.81 28.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.51000000000000001 109.308 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 59.6 m-70 -137.43 154.85 49.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.69999999999999996 109.57 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 4' ' ' LEU . 36.9 m-85 -154.9 164.85 38.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 1.99 111.012 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 p -109.8 -16.88 13.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 3.3300000000000001 109.956 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -154.68 31.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.453 1.096 . . . . 4.6799999999999997 110.3 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.476 ' HB2' ' CB ' ' A' ' 25' ' ' PHE . 7.6 t30 -40.71 -79.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 5.0099999999999998 109.292 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 39.7 79.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 6.0800000000000001 109.349 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.779 HG13 ' HB3' ' A' ' 34' ' ' SER . 66.0 t -56.33 -98.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.404 1.065 . . . . 5.4699999999999998 109.284 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.599 ' N ' HG12 ' A' ' 30' ' ' VAL . 1.8 m 49.5 50.38 18.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 4.54 110.419 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.85 ' HB2' HG11 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -162.77 -86.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.427 1.08 . . . . 6.1900000000000004 110.227 179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -159.42 26.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 4.1200000000000001 111.023 -179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.779 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.1 t -84.41 141.79 30.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 1.6100000000000001 110.016 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.5 176.26 46.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.85999999999999999 110.973 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.723 ' HB3' HD11 ' A' ' 68' ' ' ILE . . . -136.55 163.47 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.66000000000000003 109.353 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -155.69 128.77 8.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 2.7799999999999998 109.265 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.969 HD13 HG22 ' A' ' 81' ' ' VAL . 59.0 tp -90.92 130.66 36.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 1.0800000000000001 109.313 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' A' ' 52' ' ' ALA . 35.0 m -129.84 140.86 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.89000000000000001 109.345 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 4.8 ttm -94.31 95.67 9.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 2.79 111.009 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 41' ' ' THR . 9.5 t -122.54 59.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 1.0600000000000001 110.378 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HA ' ' HB ' ' A' ' 78' ' ' THR . . . -54.31 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 2.3500000000000001 109.341 179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.6 tpt -116.69 92.94 39.5 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 5.3499999999999996 110.993 179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.43 5.63 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.52 1.8 . . . . 4.04 111.038 179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.75 -34.86 1.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.125 . . . . 4.0800000000000001 111.027 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mmt -87.45 62.94 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 5.54 111.037 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 43.1 74.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 7.6900000000000004 110.339 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 50.07 87.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 6.5099999999999998 109.638 -179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.3 p -120.07 78.77 25.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 3.0699999999999998 109.975 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 143.51 28.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.561 1.822 . . . . 1.9199999999999999 110.936 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 75.3 mtp -110.61 104.92 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 3.04 111.019 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HA ' HG12 ' A' ' 39' ' ' VAL . . . -52.12 138.6 25.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.87 109.255 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG11 HD23 ' A' ' 38' ' ' LEU . 2.7 p -110.36 158.06 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.93000000000000005 109.291 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -79.93 99.47 7.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 4.8099999999999996 109.276 -179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' PRO . . . -143.59 174.86 10.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.75 109.343 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -147.13 144.99 29.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.72999999999999998 109.364 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.17 127.13 44.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 2.1200000000000001 109.308 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 m -136.25 128.99 30.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 1.4399999999999999 109.963 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.91 167.04 54.65 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.467 1.105 . . . . 1.3100000000000001 111.06 179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.69 65.21 0.26 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 2.7400000000000002 110.963 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.52 -53.83 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.026 -0.829 . . . . 2.0600000000000001 111.026 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 145.88 41.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.616 0.833 . . . . 3.75 109.295 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.85 20.94 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 1.4099999999999999 110.985 179.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.25 -23.15 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 2.29 109.24 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -93.59 116.07 28.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.79000000000000004 110.432 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.494 ' HB3' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -107.08 147.18 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 1.6699999999999999 110.987 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 11.3 t -145.41 114.52 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 1.8100000000000001 109.317 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.723 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -84.7 117.71 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.68000000000000005 109.224 -179.899 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.497 ' O ' HG22 ' A' ' 69' ' ' THR . 0.7 OUTLIER -123.69 106.02 32.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.52000000000000002 110.376 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.477 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 18.6 Cg_endo -74.99 135.06 18.6 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.527 1.803 . . . . 0.56999999999999995 111.077 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.72 -28.99 70.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.87 109.322 -179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 151.71 37.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 1.04 110.06 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.09 17.49 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.77 . . . . 1.0600000000000001 111.027 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 38' ' ' LEU . 20.4 mt -76.49 116.77 17.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 1.1399999999999999 109.28 179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.3 p -98.1 174.36 6.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 1.21 110.356 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.741 ' HA ' HG12 ' A' ' 101' ' ' VAL . . . -47.58 172.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 1.1299999999999999 109.306 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.72 -146.02 18.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.89000000000000001 110.999 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.442 ' HB ' ' HA ' ' A' ' 42' ' ' ALA . 1.2 m -154.03 135.98 14.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 1.23 110.411 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -138.79 174.43 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 2.0699999999999998 111.013 -179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.61 114.72 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 2.54 109.31 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.969 HG22 HD13 ' A' ' 38' ' ' LEU . 16.3 t -85.23 118.57 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.58999999999999997 109.302 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.75 129.82 46.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 1.78 109.32 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.466 ' CZ2' ' HA3' ' A' ' 95' ' ' GLY . 49.4 p-90 -125.41 159.48 31.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.947 -1.131 . . . . 0.48999999999999999 107.947 -179.914 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -150.95 129.84 12.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 3.7999999999999998 110.267 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.26 158.06 24.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.84999999999999998 109.268 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.85 HG11 ' HB2' ' A' ' 32' ' ' GLN . 9.2 p -115.56 149.49 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 2.8999999999999999 109.325 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -110.08 -50.33 2.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 4.04 109.969 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.29 -63.21 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 4.1900000000000004 110.012 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -175.97 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 7.8200000000000003 109.267 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.9 p -113.21 54.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 5.4199999999999999 110.422 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -170.11 64.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 6.4400000000000004 109.615 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.17 22.58 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.543 1.812 . . . . 1.9299999999999999 110.964 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.97 101.64 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 2.7400000000000002 109.263 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.9 p -84.67 175.03 9.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 1.1599999999999999 110.429 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.466 ' HA3' ' CZ2' ' A' ' 83' ' ' TRP . . . 176.82 148.42 7.1 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.532 1.145 . . . . 0.60999999999999999 111.002 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.49 148.83 44.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 0.738 . . . . 0.89000000000000001 110.02 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.813 HG11 ' HG2' ' A' ' 9' ' ' PRO . 2.6 t -131.48 107.78 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.64000000000000001 109.272 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.9 t -86.05 141.62 29.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.56999999999999995 110.365 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 79' ' ' TYR . 3.6 p90 -149.84 146.79 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.98 111.016 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -106.08 163.37 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 3.27 109.224 -179.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 76' ' ' ALA . 81.7 t -145.87 121.68 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.78000000000000003 109.289 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 2.3900000000000001 109.273 179.944 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_